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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50149081'   
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 X


(Homo sapiens (Human))
BDBM50149081
PNG
(6-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES CC1CC(=O)NN=C1c1ccc2nc([nH]c2c1)-c1ccc(Cl)s1 |c:6|
Show InChI InChI=1S/C16H13ClN4OS/c1-8-6-14(22)20-21-15(8)9-2-3-10-11(7-9)19-16(18-10)12-4-5-13(17)23-12/h2-5,7-8H,6H2,1H3,(H,18,19)(H,20,22)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149081
PNG
(6-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES CC1CC(=O)NN=C1c1ccc2nc([nH]c2c1)-c1ccc(Cl)s1 |c:6|
Show InChI InChI=1S/C16H13ClN4OS/c1-8-6-14(22)20-21-15(8)9-2-3-10-11(7-9)19-16(18-10)12-4-5-13(17)23-12/h2-5,7-8H,6H2,1H3,(H,18,19)(H,20,22)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair