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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 = 'BDBM50096848'   
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))
BDBM50096848
PNG
(CHEMBL3580665)
Show SMILES Clc1[nH]c(nc1-c1ccc2NC(=O)CCc2c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1/C30H24Cl2N8O2/c31-22-9-11-25(40-17-33-38-39-40)20(16-22)8-13-27(42)35-24(14-18-4-2-1-3-5-18)30-36-28(29(32)37-30)21-6-10-23-19(15-21)7-12-26(41)34-23/h1-6,8-11,13,15-17,24H,7,12,14H2,(H,34,41)(H,35,42)(H,36,37)/b13-8+/t24-/s2
PDB
MMDB

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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry


ACS Med Chem Lett 6: 590-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00066
BindingDB Entry DOI: 10.7270/Q2B27X24
More data for this
Ligand-Target Pair