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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 = 'BDBM50310305'   
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)
BDBM50310305
PNG
(CHEMBL596859 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-4...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccc(O)cc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-15(21)6-10-17)13-14-20(4-2)28(25,26)18-11-7-16(22)8-12-18/h5-12,21-22H,3-4,13-14H2,1-2H3
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of antithrombin-3 assessed as residual alpha-thrombin activity


Bioorg Med Chem Lett 20: 966-70 (2010)

More data for this
Ligand-Target Pair