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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 = 'BDBM50247800'   
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))
BDBM50247800
PNG
(CHEMBL4068707)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1 |c:5,16|
Show InChI InChI=1S/C22H24BrFN4O4S/c1-3-32-22(29)18-16(12-28-6-8-31-9-7-28)26-20(21-25-11-17(30-2)33-21)27-19(18)14-5-4-13(24)10-15(14)23/h4-5,10-11,19H,3,6-9,12H2,1-2H3,(H,26,27)
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PC cid
PC sid
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Article
PubMed
n/an/a 4.19E+3n/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