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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 = 'BDBM50347003'   
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))
BDBM50347003
PNG
(CHEMBL1795905)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c(C)c2C)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C31H45N3O5/c1-21-22(2)33(3)30(35)18-28(21)27-10-11-32-19-29(27)31(36)34(25-8-9-25)20-24-15-23(7-6-12-37-4)16-26(17-24)39-14-13-38-5/h15-18,25,27,29,32H,6-14,19-20H2,1-5H3/t27-,29+/m1/s1
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Similars

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