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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 = 'BDBM50346999'   
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))
BDBM50346999
PNG
(CHEMBL1795901)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccccc2)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C29H40N2O4/c1-33-14-6-7-22-17-23(19-26(18-22)35-16-15-34-2)21-31(25-10-11-25)29(32)28-20-30-13-12-27(28)24-8-4-3-5-9-24/h3-5,8-9,17-19,25,27-28,30H,6-7,10-16,20-21H2,1-2H3/t27-,28+/m1/s1
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7.20E+3n/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