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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 = 'BDBM50136612'   
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))
BDBM50136612
PNG
(CHEMBL3752735)
Show SMILES COC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1/C27H24ClN7O4/c1-39-27(38)31-22-9-5-8-21(16-22)30-26(37)23(14-18-6-3-2-4-7-18)32-25(36)13-10-19-15-20(28)11-12-24(19)35-17-29-33-34-35/h2-13,15-17,23H,14H2,1H3,(H,30,37)(H,31,38)(H,32,36)/b13-10+/t23-/s2
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173n/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)


BindingDB Entry DOI: 10.7270/Q27H1MFM
More data for this
Ligand-Target Pair