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BDBM50250458 CHEMBL4080257

SMILES: OC(=O)c1ccc(NC(=O)C2N(CCc3nn(Cc4ccccc4)cc23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1

InChI Key: InChIKey=PTAGLYQFNDYBOJ-MDWZMJQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250458   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))		BDBM50250458
PNG
(CHEMBL4080257)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3nn(Cc4ccccc4)cc23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C31H25ClN8O4/c32-23-9-12-27(40-19-33-36-37-40)22(16-23)8-13-28(41)39-15-14-26-25(18-38(35-26)17-20-4-2-1-3-5-20)29(39)30(42)34-24-10-6-21(7-11-24)31(43)44/h1-13,16,18-19,29H,14-15,17H2,(H,34,42)(H,43,44)/b13-8+
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Similars
Article
PubMed
 1.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method

J Med Chem 60: 9703-9723 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01171
BindingDB Entry DOI: 10.7270/Q2K64MHN
More data for this
Ligand-Target Pair