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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 = 'BDBM50347011'   
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))
BDBM50347011
PNG
(CHEMBL1796064)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H39N3O3/c1-34-15-13-26(20-31(34)36)29-12-14-33-21-30(29)32(37)35(28-10-11-28)22-24-17-23(7-6-16-38-2)18-27(19-24)25-8-4-3-5-9-25/h3-5,8-9,13,15,17-20,28-30,33H,6-7,10-12,14,16,21-22H2,1-2H3/t29-,30+/m1/s1
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Article
PubMed
1.70E+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