BDBM50136614 CHEMBL3753020

SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1

InChI Key InChIKey=YGQQLNQKNAXOKN-SYZXBLONSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136614   

TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL

LigandBDBM50136614(CHEMBL3753020)Copy SMILESCopy InChI

Affinity DataKi:  1.40nMAssay Description:Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL

LigandBDBM50136614(CHEMBL3753020)Copy SMILESCopy InChI

Affinity DataKi:  23nMAssay Description:Inhibition of human plasma kallikreinMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI