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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50136572'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))		BDBM50136572
PNG
(CHEMBL3754443)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r|
Show InChI InChI=1S/C32H25ClN6O4/c33-26-13-16-29(39-20-34-37-38-39)25(19-26)12-17-30(40)36-28(31(41)35-27-14-10-24(11-15-27)32(42)43)18-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-17,19-20,28H,18H2,(H,35,41)(H,36,40)(H,42,43)/b17-12+/t28-/m0/s1
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Article
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 12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy...

Bioorg Med Chem Lett 26: 472-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM
More data for this
Ligand-Target Pair