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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 = 'BDBM50124861'   
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))
BDBM50124861
PNG
(2-[2,4-bis(sulfonatooxy)phenyl]-4-oxo-3,5-bis(sulf...)
Show SMILES [O-]S(=O)(=O)Oc1ccc(c(OS([O-])(=O)=O)c1)-c1oc2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2c(=O)c1OS([O-])(=O)=O
Show InChI InChI=1S/C15H10O22S5/c16-13-12-10(4-7(34-39(20,21)22)5-11(12)36-41(26,27)28)32-14(15(13)37-42(29,30)31)8-2-1-6(33-38(17,18)19)3-9(8)35-40(23,24)25/h1-5H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-5
PDB
MMDB

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Similars

PubMed
n/an/an/a 1.80E+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