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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50247791'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50247791
PNG
(CHEMBL4087026)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2C(=O)OC)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
Show InChI InChI=1S/C23H24BrFN4O5S/c1-3-34-23(31)18-16(11-29-7-8-33-12-17(29)22(30)32-2)27-20(21-26-6-9-35-21)28-19(18)14-5-4-13(25)10-15(14)24/h4-6,9-10,17,19H,3,7-8,11-12H2,1-2H3,(H,27,28)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



HEC Pharma Group

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay


J Med Chem 61: 1355-1374 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01914
BindingDB Entry DOI: 10.7270/Q2XS5XS9
More data for this
Ligand-Target Pair