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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 = 'BDBM50118106'   
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))
BDBM50118106
PNG
(CHEMBL3613445)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1ccccc1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-15-21-10-11-24(32)14-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-8-6-5-7-9-23/h5-11,14,19-20,25-26,29,32H,12-13,15-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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PC cid
PC sid
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Article
PubMed
7.05E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


Bioorg Med Chem 23: 6379-88 (2015)


Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z
More data for this
Ligand-Target Pair