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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 = 'BDBM50247739'   
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))
BDBM50247739
PNG
(CHEMBL4074324)
Show SMILES CCOC(=O)C1=C(CN2CC(C)(C)OC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|
Show InChI InChI=1S/C24H26BrFN4O5S/c1-4-34-23(33)18-16(10-30-12-24(2,3)35-11-17(30)22(31)32)28-20(21-27-7-8-36-21)29-19(18)14-6-5-13(26)9-15(14)25/h5-9,17,19H,4,10-12H2,1-3H3,(H,28,29)(H,31,32)/t17-,19-/m0/s1
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Article
PubMed
n/an/a>3.00E+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