BDBM50458534 CHEMBL4216226

SMILES c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O

InChI Key InChIKey=DNDMLXSODUEUMP-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50458534   

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458534(CHEMBL4216226)
Affinity DataIC50: 1nMAssay Description:Inhibition of human factor 11a assessed as reduction in para-nitroanilide releasee using pyroGlu-Pro-Arg-pNA.HCl substrate by by chromogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458534(CHEMBL4216226)
Affinity DataKi:  0.5nMAssay Description:Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA.HCl as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)