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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 = 'BDBM50380620'   
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))
BDBM50380620
PNG
(CHEMBL2016866)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(CNC(=O)CC[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)c3)cc1 |r|
Show InChI InChI=1S/C33H39N7O6S/c34-31(35)26-11-9-22(10-12-26)18-38-32(43)27-13-15-29(41)36-19-24-7-4-8-25(17-24)20-37-30(42)16-14-28(33(44)39-27)40-47(45,46)21-23-5-2-1-3-6-23/h1-12,17,27-28,40H,13-16,18-21H2,(H3,34,35)(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28+/m0/s1
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PC cid
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Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair