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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X/antithrombin III' and Ligand = 'BDBM50421638'   
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/antithrombin III


(Homo sapiens (human))
BDBM50421638
PNG
(CHEMBL2303825)
Show SMILES CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]1NS(O)(=O)=O
Show InChI InChI=1S/C19H34N2O30S5/c1-43-17-7(21-53(31,32)33)13(51-56(40,41)42)12(5(47-17)3-45-55(37,38)39)48-19-11(25)10(24)14(15(50-19)16(26)27)49-18-6(20-52(28,29)30)9(23)8(22)4(46-18)2-44-54(34,35)36/h4-15,17-25H,2-3H2,1H3,(H,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,17+,18-,19-/m1/s1
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MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition


Citation and Details
More data for this
Ligand-Target Pair