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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 = 'BDBM50347013'   
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))
BDBM50347013
PNG
(CHEMBL1796066)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc2n1 |r|
Show InChI InChI=1S/C29H36N4O3/c1-32-14-12-20(17-28(32)34)24-11-13-30-18-26(24)29(35)33(23-9-10-23)19-21-16-22(6-5-15-36-2)31-27-8-4-3-7-25(21)27/h3-4,7-8,12,14,16-17,23-24,26,30H,5-6,9-11,13,15,18-19H2,1-2H3/t24-,26+/m1/s1
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Article
PubMed
>2.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 3970-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.013
BindingDB Entry DOI: 10.7270/Q2PN9608
More data for this
Ligand-Target Pair