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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 = 'BDBM50058430'   
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))
BDBM50058430
PNG
(CHEMBL3326793)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(=O)[C@H]1Cc2ccc(cc2CN1)C(N)=O |r|
Show InChI InChI=1S/C31H42N4O3/c1-19(2)25(15-28(36)27-14-21-8-9-23(30(33)38)12-24(21)16-34-27)18-35-11-10-31(4,20(3)17-35)26-7-5-6-22(13-26)29(32)37/h5-9,12-13,19-20,25,27,34H,10-11,14-18H2,1-4H3,(H2,32,37)(H2,33,38)/t20-,25+,27+,31+/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG


J Med Chem 57: 7367-81 (2014)


Article DOI: 10.1021/jm5008177
BindingDB Entry DOI: 10.7270/Q21R6S5J
More data for this
Ligand-Target Pair