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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 = 'BDBM50017940'   
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


(Bos taurus)
BDBM50017940
PNG
(CHEMBL3289037)
Show SMILES NC(=N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C30H25N5O4S/c31-29(32)20-5-10-24(11-6-20)38-26-16-23(17-27(18-26)39-25-12-7-21(8-13-25)30(33)34)35-40(36,37)28-14-9-19-3-1-2-4-22(19)15-28/h1-18,35H,(H3,31,32)(H3,33,34)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
876n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair