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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin K-dependent protein C' and Ligand = 'BDBM50392589'   
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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50392589
PNG
(CHEMBL2153377)
Show SMILES CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3|
Show InChI InChI=1S/C24H23Cl2N5O4S/c1-3-27-14-22(32)31-36(2,35)18-8-4-15(5-9-18)23(33)29-20-10-6-16(25)12-19(20)24(34)30-21-11-7-17(26)13-28-21/h4-14,36H,3H2,1-2H3,(H,29,33)(H,28,30,34)(H,31,32,35)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of activated protein C assessed as S-2366 substrate hydrolysis by microplate reader analysis


Eur J Med Chem 58: 136-52 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.005
BindingDB Entry DOI: 10.7270/Q2571D4Q
More data for this
Ligand-Target Pair