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BDBM50250496 CHEMBL4074535

SMILES: CN(C)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=WYSMEGUVKCVXQV-MDWZMJQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250496   
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))		BDBM50250496
PNG
(CHEMBL4074535)
Show SMILES CN(C)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H26ClN7O4/c1-35(2)25-5-3-4-23-22(25)14-15-36(27(23)28(39)32-21-10-6-18(7-11-21)29(40)41)26(38)13-8-19-16-20(30)9-12-24(19)37-17-31-33-34-37/h3-13,16-17,27H,14-15H2,1-2H3,(H,32,39)(H,40,41)/b13-8+
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Similars
Article
PubMed
 6n/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