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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin K epoxide reductase complex subunit 1' and Ligand = 'BDBM50535486'   
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 epoxide reductase complex subunit 1


(Homo sapiens (Human))
BDBM50535486
PNG
(CHEMBL4463800)
Show SMILES CC(=O)CC(c1c(O)c2ccccc2oc1=O)/C1=C/C=C(\C=C/C=C\1)/C(O)=O |c:21,23,25,t:19|
Show InChI InChI=1S/C22H18O6/c1-13(23)12-17(14-6-2-3-7-15(11-10-14)21(25)26)19-20(24)16-8-4-5-9-18(16)28-22(19)27/h2-11,17,24H,12H2,1H3,(H,25,26)/b3-2-,6-2-,7-3-,11-10-,14-6+,14-10+,15-7+,15-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.93E+3n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for 48 hrs by ELISA


Bioorg Med Chem Lett 29: 1954-1956 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.039
BindingDB Entry DOI: 10.7270/Q2TQ652J
More data for this
Ligand-Target Pair