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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 = 'BDBM50355535'   
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))
BDBM50355535
PNG
(CHEMBL1910301)
Show SMILES COCCCc1ccc(F)c2c(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c[nH]c12 |r|
Show InChI InChI=1S/C28H32F3N3O3/c1-37-12-2-3-17-4-8-23(30)25-18(14-33-26(17)25)16-34(20-6-7-20)27(35)21-15-32-11-10-28(21,36)19-5-9-22(29)24(31)13-19/h4-5,8-9,13-14,20-21,32-33,36H,2-3,6-7,10-12,15-16H2,1H3/t21-,28+/m1/s1
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Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 3976-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.014
BindingDB Entry DOI: 10.7270/Q21N81HN
More data for this
Ligand-Target Pair