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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50135943'   
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))
BDBM50135943
PNG
(2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...)
Show SMILES COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O4S/c1-38-17-8-10-21(16(11-17)14-31)34-22(13-24(33-34)26(28,29)30)25(35)32-20-9-7-15(12-19(20)27)18-5-3-4-6-23(18)39(2,36)37/h3-13H,14,31H2,1-2H3,(H,32,35)
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PC cid
PC sid
UniChem
Article
PubMed
0.540n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair