BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 88639 CC(C)n1c2nc3ccccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N InChI=1S/C23H23N5O2/c1-15(2)28-20(24)17(22(29)25-12-11-16-8-4-3-5-9-16)14-18-21(28)26-19-10-6-7-13-27(19)23(18)30/h3-10,13-15,24H,11-12H2,1-2H3,(H,25,29) GULGYCXYCGEVLX-UHFFFAOYSA-N 30661 2-Imino-1-isopropyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid phenethyl-amide::2-azanylidene-5-oxidanylidene-N-(2-phenylethyl)-1-propan-2-yl-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::2-imino-1-isopropyl-5-keto-N-phenethyl-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::2-imino-5-oxo-N-(2-phenylethyl)-1-propan-2-yl-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide::2-imino-5-oxo-N-(2-phenylethyl)-1-propan-2-yldipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::MLS000033964::SMR000013385::cid_647592 Sphingosine 1-phosphate receptor 1 Homo sapiens 15900 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30661&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 647592 252614921 ZINC00794710 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88640 Clc1ccc2nc(nc(-c3ccccc3)c2c1)N1CCNCC1 InChI=1S/C18H17ClN4/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)22-18(21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2 UQUXFXRMNTUFQA-UHFFFAOYSA-N 30721 6-chloranyl-4-phenyl-2-piperazin-1-yl-quinazoline::6-chloro-4-phenyl-2-(1-piperazinyl)quinazoline::6-chloro-4-phenyl-2-piperazin-1-ylquinazoline::6-chloro-4-phenyl-2-piperazino-quinazoline::MLS000027613::SMR000039795::cid_658787 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30721&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 658787 252614978 ZINC00275717 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88641 Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1 InChI=1S/C24H22FN5O3/c25-16-8-6-15(7-9-16)13-27-23(31)18-12-19-22(28-20-5-1-2-10-29(20)24(19)32)30(21(18)26)14-17-4-3-11-33-17/h1-2,5-10,12,17,26H,3-4,11,13-14H2,(H,27,31) MJJTTXVZXGEYOV-UHFFFAOYSA-N 30775 2-azanylidene-N-[(4-fluorophenyl)methyl]-5-oxidanylidene-1-(oxolan-2-ylmethyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::MLS000040893::N-(4-fluorobenzyl)-2-imino-5-keto-1-(tetrahydrofurfuryl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::N-[(4-fluorophenyl)methyl]-2-imino-5-oxo-1-(2-oxolanylmethyl)-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide::N-[(4-fluorophenyl)methyl]-2-imino-5-oxo-1-(oxolan-2-ylmethyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::SMR000045315::cid_664390 Sphingosine 1-phosphate receptor 1 Homo sapiens 20400 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30775&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 664390 252615030 ZINC02345500 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88642 Cc1ccc2nc3n(-c4nccs4)c(=O)c(cc3c(=O)n2c1)C#N InChI=1S/C16H9N5O2S/c1-9-2-3-12-19-13-11(15(23)20(12)8-9)6-10(7-17)14(22)21(13)16-18-4-5-24-16/h2-6,8H,1H3 GMABSQHMTMQRTP-UHFFFAOYSA-N 30783 2,5-diketo-8-methyl-1-thiazol-2-yl-dipyrido[1,2-e:4',3'-f]pyrimidine-3-carbonitrile::8-methyl-2,5-bis(oxidanylidene)-1-(1,3-thiazol-2-yl)dipyrido[1,2-e:4',3'-f]pyrimidine-3-carbonitrile::8-methyl-2,5-dioxo-1-(1,3-thiazol-2-yl)dipyrido[1,2-e:4',3'-f]pyrimidine-3-carbonitrile::8-methyl-2,5-dioxo-1-(2-thiazolyl)-3-dipyrido[1,2-e:4',3'-f]pyrimidinecarbonitrile::MLS000084423::SMR000047276::cid_665934 Sphingosine 1-phosphate receptor 1 Homo sapiens 10600 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30783&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 665934 252615038 ZINC02441568 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88643 Cc1cc(no1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O InChI=1S/C16H9N5O3/c1-9-6-13(19-24-9)21-14-11(7-10(8-17)15(21)22)16(23)20-5-3-2-4-12(20)18-14/h2-7H,1H3 CSWJXYZMNHKYEL-UHFFFAOYSA-N 30784 1-(5-methyl-1,2-oxazol-3-yl)-2,5-bis(oxidanylidene)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-(5-methyl-1,2-oxazol-3-yl)-2,5-dioxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-(5-methyl-3-isoxazolyl)-2,5-dioxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarbonitrile::2,5-diketo-1-(5-methylisoxazol-3-yl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::MLS000084419::SMR000047194::cid_665938 Sphingosine 1-phosphate receptor 1 Homo sapiens 10100 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30784&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 665938 252615039 ZINC02433856 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88644 Cn1c(SCC(=O)c2ccc3OCOc3c2)nnc1C1COc2ccccc2O1 InChI=1S/C20H17N3O5S/c1-23-19(18-9-25-14-4-2-3-5-16(14)28-18)21-22-20(23)29-10-13(24)12-6-7-15-17(8-12)27-11-26-15/h2-8,18H,9-11H2,1H3 MQNYGFDIBRAGIC-UHFFFAOYSA-N 47482 1-(1,3-benzodioxol-5-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone::1-(1,3-benzodioxol-5-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone::MLS000060572::SMR000064539::cid_2998725 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47482&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2998725 252627793 ZINC03405747 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88645 C=CCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=O InChI=1S/C15H10N4O2/c1-2-6-19-13-11(8-10(9-16)14(19)20)15(21)18-7-4-3-5-12(18)17-13/h2-5,7-8H,1,6H2 ARCGSTOFFXSCJR-UHFFFAOYSA-N 30862 1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-allyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile::2,5-bis(oxidanylidene)-1-prop-2-enyl-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::2,5-dioxo-1-prop-2-enyl-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarbonitrile::2,5-dioxo-1-prop-2-enyldipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::MLS000094258::SMR000029848::cid_3239161 Sphingosine 1-phosphate receptor 1 Homo sapiens 24600 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30862&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3239161 252615117 ZINC04101572 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88646 CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C InChI=1S/C18H26N2O2/c1-4-21-17-11-7-8-12-18(17)22-13-9-5-6-10-16-14(2)19-20-15(16)3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,19,20) ZYVWDGOLKRWZLE-UHFFFAOYSA-N 37060 4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyrazole::MLS000043342::SMR000019961::cid_3240425 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37060&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3240425 252618031 ZINC02484830 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88647 Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1 InChI=1S/C15H11NO5/c17-10-4-3-9-6-12(15(19)21-13(9)7-10)14(18)16-8-11-2-1-5-20-11/h1-7,17H,8H2,(H,16,18) VSRQWJVOVDOTOW-UHFFFAOYSA-N 30891 MLS000049147::N-(2-furanylmethyl)-7-hydroxy-2-oxo-1-benzopyran-3-carboxamide::N-(2-furfuryl)-7-hydroxy-2-keto-chromene-3-carboxamide::N-(2-furylmethyl)-7-hydroxy-2-oxo-2H-chromene-3-carboxamide::N-(furan-2-ylmethyl)-7-hydroxy-2-oxochromene-3-carboxamide::N-(furan-2-ylmethyl)-7-oxidanyl-2-oxidanylidene-chromene-3-carboxamide::SMR000074483::cid_5398663 Sphingosine 1-phosphate receptor 1 Homo sapiens 5050 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30891&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5398663 252615146 ZINC00147186 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88648 CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O InChI=1S/C17H12O7/c1-2-21-15(18)12-8-10-5-6-11(9-14(10)24-16(12)19)23-17(20)13-4-3-7-22-13/h3-9H,2H2,1H3 VRUYZQVRGWGPMI-UHFFFAOYSA-N 30911 7-(2-furoyloxy)-2-keto-chromene-3-carboxylic acid ethyl ester::7-[2-furanyl(oxo)methoxy]-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester::MLS000050094::SMR000077133::cid_733831::ethyl 7-(2-furoyloxy)-2-oxo-2H-chromene-3-carboxylate::ethyl 7-(furan-2-carbonyloxy)-2-oxochromene-3-carboxylate::ethyl 7-(furan-2-ylcarbonyloxy)-2-oxidanylidene-chromene-3-carboxylate Sphingosine 1-phosphate receptor 1 Homo sapiens 2080 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30911&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 733831 252615165 ZINC00149045 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88649 CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)cc2Cl)C(C#N)C1c1ccco1 InChI=1S/C21H16Cl2N2O3S/c1-11-19(12(2)26)20(18-4-3-7-28-18)15(9-24)21(25-11)29-10-17(27)14-6-5-13(22)8-16(14)23/h3-8,15,20H,10H2,1-2H3 DNRTVHBDGFTABD-UHFFFAOYSA-N 47483 2-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile::5-acetyl-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile::5-acetyl-2-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile::5-acetyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]-4-(2-furanyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile::MLS000107934::SMR000103898::cid_2862214 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47483&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91896720 252627794 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88650 CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1 InChI=1S/C19H14N2O4/c1-11(22)24-13-8-7-12-9-14(19(23)25-17(12)10-13)18-20-15-5-3-4-6-16(15)21(18)2/h3-10H,1-2H3 BTPRCGPGOMONJP-UHFFFAOYSA-N 30985 MLS000107096::SMR000111468::[3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-chromen-7-yl] ethanoate::[3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-yl] acetate::acetic acid [2-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-yl] ester::acetic acid [3-(1-methyl-2-benzimidazolyl)-2-oxo-1-benzopyran-7-yl] ester::cid_708260 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30985&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 708260 252615239 ZINC00096549 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88651 OCCN(CCO)S(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1 InChI=1S/C19H22ClN3O4S/c20-16-3-1-15(2-4-16)19-9-10-23(21-19)17-5-7-18(8-6-17)28(26,27)22(11-13-24)12-14-25/h1-8,24-25H,9-14H2 MFSDVTHDZNQWBH-UHFFFAOYSA-N 41661 4-[3-(4-Chloro-phenyl)-4,5-dihydro-pyrazol-1-yl]-N,N-bis-(2-hydroxy-ethyl)-benzenesulfonamide::4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide::4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide::MLS000523397::SMR000123375::cid_3093171 Sphingosine 1-phosphate receptor 1 Homo sapiens 3120 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41661&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3093171 252622382 ZINC08828572 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88652 COc1cccc(C2CN(N=C2c2cccs2)c2ccc(F)cc2F)c1OC InChI=1S/C21H18F2N2O2S/c1-26-18-6-3-5-14(21(18)27-2)15-12-25(17-9-8-13(22)11-16(17)23)24-20(15)19-7-4-10-28-19/h3-11,15H,12H2,1-2H3 SNKVZFKUZRZTKU-UHFFFAOYSA-N 47484 1-(2,4-difluorophenyl)-4-(2,3-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazoline::1-(2,4-difluorophenyl)-4-(2,3-dimethoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole::2-(2,4-difluorophenyl)-4-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole::2-[2,4-bis(fluoranyl)phenyl]-4-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole::MLS000548511::SMR000114726::cid_4097071 Sphingosine 1-phosphate receptor 1 Homo sapiens 7490 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47484&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4097071 252627795 ZINC04020702 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88653 CN(C)CCCNS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1 InChI=1S/C20H25ClN4O2S/c1-24(2)14-3-13-22-28(26,27)19-10-8-18(9-11-19)25-15-12-20(23-25)16-4-6-17(21)7-5-16/h4-11,22H,3,12-15H2,1-2H3 FXYFDLSNCLJHMY-UHFFFAOYSA-N 41669 4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dimethylamino)propyl]benzenesulfonamide::4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-[3-(dimethylamino)propyl]benzenesulfonamide::4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N-[3-(dimethylamino)propyl]benzenesulfonamide::MLS000530254::SMR000135230::cid_2837694 Sphingosine 1-phosphate receptor 1 Homo sapiens >614 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41669&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2837694 252622390 ZINC03996200 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88654 Cc1cccc(c1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O InChI=1S/C19H12N4O2/c1-12-5-4-6-14(9-12)23-17-15(10-13(11-20)18(23)24)19(25)22-8-3-2-7-16(22)21-17/h2-10H,1H3 VSTCJSDHMGSFMA-UHFFFAOYSA-N 47485 1-(3-methylphenyl)-2,5-bis(oxidanylidene)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-(3-methylphenyl)-2,5-dioxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarbonitrile::1-(3-methylphenyl)-2,5-dioxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::2,5-diketo-1-(m-tolyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::MLS000520594::SMR000131005::cid_9550767 Sphingosine 1-phosphate receptor 1 Homo sapiens 8750 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47485&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9550767 252627796 ZINC05152766 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88655 Cc1ccccc1-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O InChI=1S/C19H12N4O2/c1-12-6-2-3-7-15(12)23-17-14(10-13(11-20)18(23)24)19(25)22-9-5-4-8-16(22)21-17/h2-10H,1H3 SCYIDUQOZZGSIB-UHFFFAOYSA-N 41670 1-(2-methylphenyl)-2,5-bis(oxidanylidene)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-(2-methylphenyl)-2,5-dioxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarbonitrile::1-(2-methylphenyl)-2,5-dioxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::2,5-diketo-1-(o-tolyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::MLS000520593::SMR000131004::cid_9550812 Sphingosine 1-phosphate receptor 1 Homo sapiens 7880 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41670&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 9550812 252622391 ZINC05152757 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88656 Cn1c(nc2ccccc12)-c1cc2ccc(OC(=O)C(C)(C)C)cc2oc1=O InChI=1S/C22H20N2O4/c1-22(2,3)21(26)27-14-10-9-13-11-15(20(25)28-18(13)12-14)19-23-16-7-5-6-8-17(16)24(19)4/h5-12H,1-4H3 SLVVLPLLOLFSNR-UHFFFAOYSA-N 41829 2,2-Dimethyl-propionic acid 3-(1-methyl-1H-benzoimidazol-2-yl)-2-oxo-2H-chromen-7-yl ester::2,2-dimethylpropanoic acid [3-(1-methyl-2-benzimidazolyl)-2-oxo-1-benzopyran-7-yl] ester::2,2-dimethylpropionic acid [2-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-yl] ester::MLS000556974::SMR000148091::[3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate::[3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate::cid_1522831 Sphingosine 1-phosphate receptor 1 Homo sapiens 33500 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41829&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1522831 252622550 ZINC01447934 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88657 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(\C=C2/C(=O)NC(=O)N(C)C2=O)c1C InChI=1S/C23H25N3O5S/c1-5-31-22(29)18-15-8-6-7-9-17(15)32-21(18)26-12(2)10-14(13(26)3)11-16-19(27)24-23(30)25(4)20(16)28/h10-11H,5-9H2,1-4H3,(H,24,27,30)/b16-11+ OPNMUCMNGIQRPP-LFIBNONCSA-N 47486 2-[2,5-Dimethyl-3-(1-methyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-pyrrol-1-yl]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester::2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester::2-[2,5-dimethyl-3-[(E)-(2,4,6-triketo-1-methyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester::MLS000563406::SMR000176692::cid_1727773::ethyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-[2,5-dimethyl-3-[(E)-[1-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47486&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1727773 252627797 ZINC02063971 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88658 C\N=C1\S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C InChI=1S/C18H18FN3OS/c1-11-9-13(10-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-8-6-5-7-14(15)19/h5-10H,1-4H3/b16-10-,20-18+ NAZRLAPRFAUAEY-NIQTYAIASA-N 44985 (5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methyl-2-methylimino-4-thiazolidinone::(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-methyl-2-methylimino-thiazolidin-4-one::(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one::(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one::5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one::MLS000545134::SMR000160424::cid_1776080 Sphingosine 1-phosphate receptor 1 Homo sapiens 1180 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44985&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1776080 252625588 ZINC15985832 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88659 Clc1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1 InChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2 XYCOPXQUSIVJLY-UHFFFAOYSA-N 41680 1-(4-Chloro-phenyl)-5-furan-2-yl-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole::1-(4-chlorophenyl)-5-(2-furyl)-3-(2-thienyl)-2-pyrazoline::2-(4-chlorophenyl)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazole::2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole::MLS000566481::SMR000174942::cid_2842931 Sphingosine 1-phosphate receptor 1 Homo sapiens 5980 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41680&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2842931 252622401 ZINC04010716 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88660 COc1ccc(cc1OC)-c1c2CCc3ccccc3-c2nc(N)c1C#N InChI=1S/C22H19N3O2/c1-26-18-10-8-14(11-19(18)27-2)20-16-9-7-13-5-3-4-6-15(13)21(16)25-22(24)17(20)12-23/h3-6,8,10-11H,7,9H2,1-2H3,(H2,24,25) GGTKSBGQTCSOOX-UHFFFAOYSA-N 47487 2-Amino-4-(3,4-dimethoxy-phenyl)-5,6-dihydro-benzo[h]quinoline-3-carbonitrile::2-amino-4-(3,4-dimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile::2-azanyl-4-(3,4-dimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile::MLS000555825::SMR000172401::cid_1132552 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47487&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1132552 252627798 ZINC19095811 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88661 N\C(S)=c1\cc2C=CC(=O)C=c2oc1=O InChI=1S/C10H7NO3S/c11-9(15)7-3-5-1-2-6(12)4-8(5)14-10(7)13/h1-4,15H,11H2/b9-7+ ATJYHLIHBMIXEW-VQHVLOKHSA-N 47488 (3E)-3-[amino(mercapto)methylene]chromene-2,7-quinone::(3E)-3-[amino(mercapto)methylidene]-1-benzopyran-2,7-dione::(3E)-3-[amino(sulfanyl)methylidene]chromene-2,7-dione::(3E)-3-[azanyl(sulfanyl)methylidene]chromene-2,7-dione::7-hydroxy-2-oxo-2H-chromene-3-carbothioamide::MLS000541043::SMR000161836::cid_11958767 Sphingosine 1-phosphate receptor 1 Homo sapiens 52900 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47488&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 11958767 252627799 ZINC34208973 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88662 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 InChI=1S/C21H17BrFN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28) DQGIJMOOKDUPSB-UHFFFAOYSA-N 41685 4-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazolin-1-yl]benzenesulfonamide::4-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide::4-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide::MLS000570494::SMR000186920::cid_2864688 Sphingosine 1-phosphate receptor 1 Homo sapiens 2200 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41685&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2864688 252622406 ZINC08656626 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88663 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=O)c1C InChI=1S/C18H21NO3S/c1-4-22-18(21)16-14-7-5-6-8-15(14)23-17(16)19-11(2)9-13(10-20)12(19)3/h9-10H,4-8H2,1-3H3 IWAQYICUTFQLPL-UHFFFAOYSA-N 47489 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester::2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester::MLS000571746::SMR000193758::cid_2879073::ethyl 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47489&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2879073 252627800 ZINC04499608 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88664 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C InChI=1S/C22H23N3O5S/c1-4-30-21(28)17-14-7-5-6-8-16(14)31-20(17)25-11(2)9-13(12(25)3)10-15-18(26)23-22(29)24-19(15)27/h9-10H,4-8H2,1-3H3,(H2,23,24,26,27,29) GSXNDIVWWUSWRK-UHFFFAOYSA-N 47490 2-[2,5-dimethyl-3-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester::2-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester::MLS000576650::SMR000197118::cid_1330292::ethyl 2-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-[2,5-dimethyl-3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47490&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 1330292 252627801 ZINC01162114 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88665 COC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=O)c1C InChI=1S/C17H19NO3S/c1-10-8-12(9-19)11(2)18(10)16-15(17(20)21-3)13-6-4-5-7-14(13)22-16/h8-9H,4-7H2,1-3H3 OXFIWBCFEMDNNG-UHFFFAOYSA-N 47491 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester::2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester::MLS000572617::SMR000194116::cid_879331::methyl 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::methyl 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::methyl 2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47491&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 879331 252627802 ZINC00449316 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88666 CCNC(=O)NC(=O)C(C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl InChI=1S/C18H21ClN4O4/c1-4-20-18(26)21-16(24)12(3)27-17(25)14-11(2)22-23(15(14)19)10-13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3,(H2,20,21,24,26) XWBKOBNEHKLKLP-UHFFFAOYSA-N 47492 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester::5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester::MLS000389563::SMR000255837::[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate::[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate::cid_4300117 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47492&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4300117 252627803 ZINC03302127 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88667 Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O InChI=1S/C14H12Cl2N2O4/c1-9-2-4-13(14(17-9)18(19)20)22-7-6-21-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3 UCNNLUFXUJQOTI-UHFFFAOYSA-N 47493 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitro-pyridine::3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl-2-nitropyridine::3-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-6-methyl-2-nitro-pyridine::MLS000417155::SMR000264378::cid_4780551 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47493&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 4780551 252627804 ZINC08687968 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88668 COc1ccc(cc1)C1CC(=NN1c1ccc(C=O)cc1)c1cccs1 InChI=1S/C21H18N2O2S/c1-25-18-10-6-16(7-11-18)20-13-19(21-3-2-12-26-21)22-23(20)17-8-4-15(14-24)5-9-17/h2-12,14,20H,13H2,1H3 MZDSEIRRZDSIKG-UHFFFAOYSA-N 47494 4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzaldehyde::4-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]benzaldehyde::4-[5-(4-methoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde::MLS000680495::SMR000268672::cid_2891826 Sphingosine 1-phosphate receptor 1 Homo sapiens 12500 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47494&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2891826 252627805 ZINC05091795 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88669 Cc1cc(C)nc(N=NCc2ccc(cc2)N2CCOCC2)n1 InChI=1S/C17H21N5O/c1-13-11-14(2)20-17(19-13)21-18-12-15-3-5-16(6-4-15)22-7-9-23-10-8-22/h3-6,11H,7-10,12H2,1-2H3 KTDCYNYTULTLKG-UHFFFAOYSA-N 47495 (4,6-dimethylpyrimidin-2-yl)-[(4-morpholinobenzylidene)amino]amine::4,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methylideneamino]pyrimidin-2-amine::4,6-dimethyl-N-[[4-(4-morpholinyl)phenyl]methylideneamino]-2-pyrimidinamine::4-(4-morpholinyl)benzaldehyde (4,6-dimethyl-2-pyrimidinyl)hydrazone::MLS000681372::SMR000267763::cid_2878024 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47495&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 91896721 252627806 ZINC31830536 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88670 CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1N)[N+]([O-])=O InChI=1S/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3 AGSWRZMLPKYDNM-UHFFFAOYSA-N 47496 2-amino-N-ethyl-5-nitro-N-phenyl-benzenesulfonamide::2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide::2-azanyl-N-ethyl-5-nitro-N-phenyl-benzenesulfonamide::MLS000703410::SMR000273874::cid_67001 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47496&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 67001 252627807 ZINC03878596 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88671 COc1ccc(cc1)C1CC(=NN1c1ccccc1)c1cccs1 InChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)19-14-18(20-8-5-13-24-20)21-22(19)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3 FETQRPMUEGBANJ-UHFFFAOYSA-N 47497 3-(4-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole::5-(4-methoxyphenyl)-1-phenyl-3-(2-thienyl)-2-pyrazoline::MLS000687787::SMR000283613::cid_3122786 Sphingosine 1-phosphate receptor 1 Homo sapiens 5450 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47497&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 3122786 252627808 ZINC04071838 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88672 O=Cc1cccn1-c1sc2CCCCc2c1C#N InChI=1S/C14H12N2OS/c15-8-12-11-5-1-2-6-13(11)18-14(12)16-7-3-4-10(16)9-17/h3-4,7,9H,1-2,5-6H2 WMVXDJRDVGEDTF-UHFFFAOYSA-N 47498 2-(2-formyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile::2-(2-formylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile::2-(2-formylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile::2-(2-methanoylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile::MLS000717132::SMR000280099::cid_2063413 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47498&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2063413 252627809 ZINC02565445 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88673 Clc1ccc(\C=C/c2nccc3c4ccccc4[nH]c23)cc1 InChI=1S/C19H13ClN2/c20-14-8-5-13(6-9-14)7-10-18-19-16(11-12-21-18)15-3-1-2-4-17(15)22-19/h1-12,22H/b10-7- KGBVQPQYROHSDJ-YFHOEESVSA-N 47499 1-[(Z)-2-(4-chlorophenyl)ethenyl]-9H-pyrido[3,4-b]indole::1-[(Z)-2-(4-chlorophenyl)vinyl]-9H-beta-carboline::MLS000727871::SMR000306567::cid_5296049 Sphingosine 1-phosphate receptor 1 Homo sapiens 2180 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47499&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5296049 252627810 ZINC04622579 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88674 Clc1ccccc1-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O InChI=1S/C18H9ClN4O2/c19-13-5-1-2-6-14(13)23-16-12(9-11(10-20)17(23)24)18(25)22-8-4-3-7-15(22)21-16/h1-9H OYUYHMIBNHUWKE-UHFFFAOYSA-N 47500 1-(2-chlorophenyl)-2,5-bis(oxidanylidene)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-(2-chlorophenyl)-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-(2-chlorophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile::1-(2-chlorophenyl)-2,5-dioxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarbonitrile::1-(2-chlorophenyl)-2,5-dioxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::MLS000660709::SMR000310228::cid_16193872 Sphingosine 1-phosphate receptor 1 Homo sapiens 10400 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47500&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16193872 252627811 ZINC05152573 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88675 CNC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 InChI=1S/C19H24N4O4/c1-12(2)9-14(19(26)27-10-13-7-5-4-6-8-13)23-18(25)16-15(17(24)20-3)21-11-22-16/h4-8,11-12,14H,9-10H2,1-3H3,(H,20,24)(H,21,22)(H,23,25)/t14-/m0/s1 OTXLBWIERYDFFG-AWEZNQCLSA-N 47501 (2S)-4-methyl-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]valeric acid benzyl ester::(2S)-4-methyl-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester::(phenylmethyl) (2S)-4-methyl-2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]pentanoate::MLS000834646::SMR000391229::benzyl (2S)-4-methyl-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]pentanoate::cid_16196388 Sphingosine 1-phosphate receptor 1 Homo sapiens 22000 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47501&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16196388 252627812 ZINC13657045 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88676 O=C(OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1 InChI=1S/C28H26N4O4/c33-26(29-17-21-12-6-2-7-13-21)24-25(31-19-30-24)27(34)32-23(16-20-10-4-1-5-11-20)28(35)36-18-22-14-8-3-9-15-22/h1-15,19,23H,16-18H2,(H,29,33)(H,30,31)(H,32,34)/t23-/m0/s1 XUCRLTNRZDEDGH-QHCPKHFHSA-N 47502 (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid benzyl ester::(2S)-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester::(phenylmethyl) (2S)-3-phenyl-2-[[5-[(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]propanoate::MLS000834655::SMR000391237::benzyl (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate::cid_16196416 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47502&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16196416 252627813 ZINC15953074 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88677 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C25H28N4O4/c1-17(2)13-20(25(32)33-15-19-11-7-4-8-12-19)29-24(31)22-21(27-16-28-22)23(30)26-14-18-9-5-3-6-10-18/h3-12,16-17,20H,13-15H2,1-2H3,(H,26,30)(H,27,28)(H,29,31)/t20-/m0/s1 FBBKSODBIBNBSX-FQEVSTJZSA-N 47503 (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid benzyl ester::(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) ester::(phenylmethyl) (2S)-4-methyl-2-[[5-[(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]pentanoate::MLS000834651::SMR000391233::benzyl (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methylpentanoate::cid_16196418 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47503&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16196418 252627814 ZINC15953072 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88678 CNC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C22H22N4O4/c1-23-20(27)18-19(25-14-24-18)21(28)26-17(12-15-8-4-2-5-9-15)22(29)30-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,23,27)(H,24,25)(H,26,28)/t17-/m0/s1 BHYZKAIIAPSNJI-KRWDZBQOSA-N 47504 (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid benzyl ester::(2S)-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester::(phenylmethyl) (2S)-2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate::MLS000834649::SMR000391231::benzyl (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate::cid_16196420 Sphingosine 1-phosphate receptor 1 Homo sapiens 3130 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47504&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 16196420 252627815 ZINC13657050 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88679 CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)OCC(=O)NC(=O)NCc1ccco1 InChI=1S/C21H26N2O6/c1-12(2)14-8-16(13(3)4)19(25)17(9-14)20(26)29-11-18(24)23-21(27)22-10-15-6-5-7-28-15/h5-9,12-13,25H,10-11H2,1-4H3,(H2,22,23,24,27) GWQUSHFBKKWKTE-UHFFFAOYSA-N 47505 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester::2-hydroxy-3,5-diisopropyl-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester::MLS000776479::SMR000371473::[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate::[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate::cid_2475649 Sphingosine 1-phosphate receptor 1 Homo sapiens >49800 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47505&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2475649 252627816 ZINC03358238 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88680 CC(=O)c1cc2ccc(O)cc2oc1=O InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3 BRQZHMHHZLRXOO-UHFFFAOYSA-N 50096008 3-Acetyl-7-hydroxy-chromen-2-one::3-acetyl-7-hydroxy-2H-chromen-2-one::CHEMBL153064::cid_5392139 Sphingosine 1-phosphate receptor 1 Homo sapiens 4140 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096008&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5392139 103993614 CHEMBL153064 ZINC00047516 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88681 Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 InChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2 AFDOVMFLHLZNFH-UHFFFAOYSA-N 47506 3-(4-Chloro-phenyl)-5-furan-2-yl-1-phenyl-4,5-dihydro-1H-pyrazole::3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-2-pyrazoline::5-(4-chlorophenyl)-3-(2-furanyl)-2-phenyl-3,4-dihydropyrazole::5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole::MLS000768037::SMR000431350::cid_2834912 Sphingosine 1-phosphate receptor 1 Homo sapiens >5530 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47506&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 2834912 252627817 ZINC04573077 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88682 CCCN(CCC)c1ccc(C=Cc2ccc3cc(OCC)ccc3n2)cc1 InChI=1S/C25H30N2O/c1-4-17-27(18-5-2)23-13-8-20(9-14-23)7-11-22-12-10-21-19-24(28-6-3)15-16-25(21)26-22/h7-16,19H,4-6,17-18H2,1-3H3 BAXMFOTYCJGOCE-UHFFFAOYSA-N 47507 4-[2-(6-ethoxy-2-quinolinyl)ethenyl]-N,N-dipropylaniline::4-[2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropyl-aniline::4-[2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline::MLS000766163::SMR000528639::[4-[2-(6-ethoxy-2-quinolyl)vinyl]phenyl]-dipropyl-amine::cid_289688 Sphingosine 1-phosphate receptor 1 Homo sapiens >5530 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47507&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 289688 252627818 ZINC13146919 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88683 CC(NNC(N)=S)=c1cc2C=CC(=O)C=c2oc1=O InChI=1S/C12H11N3O3S/c1-6(14-15-12(13)19)9-4-7-2-3-8(16)5-10(7)18-11(9)17/h2-5,14H,1H3,(H3,13,15,19) LDVOXZAOZWVKJU-UHFFFAOYSA-N 47508 1-[[(1E)-1-[2,7-bis(oxidanylidene)chromen-3-ylidene]ethyl]amino]thiourea::MLS000777400::SMR000413856::[[(1E)-1-(2,7-diketochromen-3-ylidene)ethyl]amino]thiourea::[[(1E)-1-(2,7-dioxo-1-benzopyran-3-ylidene)ethyl]amino]thiourea::[[(1E)-1-(2,7-dioxochromen-3-ylidene)ethyl]amino]thiourea::cid_5418014 Sphingosine 1-phosphate receptor 1 Homo sapiens 93500 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47508&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 5418014 252627819 ZINC13126373 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8 88684 [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23 InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2 GBOQUHPYCRYKGV-UHFFFAOYSA-N 47509 5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione::5-nitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone::5-nitro-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione::MLS000766256::Pinafide::SMR000528858::cid_327045 Sphingosine 1-phosphate receptor 1 Homo sapiens 3110 PubChem 10.7270/Q2VM49PS aid1701 PubChem, PC 11/10/2010 5/29/2011 The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5970&target=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47509&enzyme=Sphingosine+1-phosphate+receptor+1&column=ki&startPg=0&Increment=50&submit=Search 327045 252627820 ZINC04217305 1 MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS 7EVY,7EVZ,7EW0,7EW7,7TD3,7TD4,7VIE,7VIF,7VIG,7VIH,8G94 Sphingosine 1-phosphate receptor 1 S1PR1_HUMAN P21453 D3DT66 Q9BYY4 Q9NYN8