BDBM50547802 CHEMBL4778975

SMILES C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl

InChI Key InChIKey=FGVGNBBKQBWTHH-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50547802   

TargetThyroid hormone receptor beta(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50547802(CHEMBL4778975)
Affinity DataIC50: 10nMAssay Description:Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetThyroid hormone receptor beta(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50547802(CHEMBL4778975)
Affinity DataIC50: 60nMAssay Description:Inhibition of thrombin in human plasmaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed