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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 = 'BDBM50136581'   
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))
BDBM50136581
PNG
(CHEMBL3754635)
Show SMILES Nc1n[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)ccc12 |r|
Show InChI InChI=1/C26H22ClN9O2/c27-18-7-10-23(36-15-29-34-35-36)17(13-18)6-11-24(37)31-22(12-16-4-2-1-3-5-16)26(38)30-19-8-9-20-21(14-19)32-33-25(20)28/h1-11,13-15,22H,12H2,(H,30,38)(H,31,37)(H3,28,32,33)/b11-6+/t22-/s2
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PC cid
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6.40n/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