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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 = 'BDBM17656'   
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))
BDBM17656
PNG
(6-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(nc2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C20H23ClN4O5S2/c1-13(19(26)24-8-10-30-11-9-24)25-7-6-16(20(25)27)23-32(28,29)14-2-3-15(22-12-14)17-4-5-18(21)31-17/h2-5,12-13,16,23H,6-11H2,1H3/t13-,16-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
24 -43.1n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair