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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 = 'BDBM50331664'   
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))
BDBM50331664
PNG
((4S,7R)-18-chloro-7-cyclohexyl-4-isobutyl-4,5,7,8,...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)CCCCCc2[nH]c3ccc(Cl)cc3c2CNC1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C29H41ClN4O3/c1-18(2)15-25-28(36)31-17-22-21-16-20(30)13-14-24(21)32-23(22)11-7-4-8-12-26(35)34-27(29(37)33-25)19-9-5-3-6-10-19/h13-14,16,18-19,25,27,32H,3-12,15,17H2,1-2H3,(H,31,36)(H,33,37)(H,34,35)/t25-,27+/m0/s1
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Similars

Article
PubMed
n/an/a 3.95E+5n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of activated protein C


Bioorg Med Chem Lett 20: 6925-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.141
BindingDB Entry DOI: 10.7270/Q237790B
More data for this
Ligand-Target Pair