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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 = 'BDBM50400758'   
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))
BDBM50400758
PNG
(CHEMBL2203585)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O |r|
Show InChI InChI=1S/C28H31N5O3/c29-19-28(25-10-3-5-13-30-25)11-15-32(16-12-28)18-20-17-21(27(36)33-14-6-4-8-23(20)33)26(35)31-22-7-1-2-9-24(22)34/h3-6,8,10,13-14,17,22,24,34H,1-2,7,9,11-12,15-16,18H2,(H,31,35)/t22-,24-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


ACS Med Chem Lett 3: 1070-1074 (2012)


Article DOI: 10.1021/ml300280g
BindingDB Entry DOI: 10.7270/Q2X34ZM6
More data for this
Ligand-Target Pair