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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 = 'BDBM50347005'   
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))
BDBM50347005
PNG
(CHEMBL1795907)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3cc(Cl)ccc23)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C33H42ClN3O5/c1-36-31-18-24(34)6-9-28(31)29(19-32(36)38)27-10-11-35-20-30(27)33(39)37(25-7-8-25)21-23-15-22(5-4-12-40-2)16-26(17-23)42-14-13-41-3/h6,9,15-19,25,27,30,35H,4-5,7-8,10-14,20-21H2,1-3H3/t27-,30+/m1/s1
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Article
PubMed
6.80E+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