BDBM50460673 CHEMBL4229054

SMILES C[C@H](c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2[C@@H](CCC4)CC(=O)O

InChI Key InChIKey=KSSMIJUMUAANAX-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50460673   

TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Human)
Merck

Curated by ChEMBL

LigandBDBM50460673(CHEMBL4229054)Copy SMILESCopy InChI

Affinity DataIC50: 7nMAssay Description:Inhibition of PDE2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/17/2020
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetProstaglandin D2 receptor(Human)
Merck

Curated by ChEMBL

LigandBDBM50460673(CHEMBL4229054)Copy SMILESCopy InChI

Affinity DataKi:  674nMAssay Description:Antagonist activity at DP1 receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/17/2020
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL