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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 = 'BDBM50365566'   
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))
BDBM50365566
PNG
(CHEMBL1957793)
Show SMILES CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r|
Show InChI InChI=1S/C28H32ClN3O3/c1-3-35-28(34)31-14-10-19-6-4-5-7-22(19)20-8-9-24(26(29)16-20)25-18-30-13-11-23(25)21-12-15-32(2)27(33)17-21/h4-9,12,15-17,23,25,30H,3,10-11,13-14,18H2,1-2H3,(H,31,34)/t23-,25+/m1/s1
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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 1953-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.044
BindingDB Entry DOI: 10.7270/Q22F7NXB
More data for this
Ligand-Target Pair