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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 = 'BDBM50214367'   
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))
BDBM50214367
PNG
((2-(N-ethylamidomethyl)-6,7,9,10,16,18-hexahydro-1...)
Show SMILES CCNC(=O)Cc1ccc2N3CCC4OC5CC[N+]6=C(C5=CC4C3C(C)(C)c2c1)C(C)(C)c1cc(ccc61)S([O-])(=O)=O |w:13.12,23.25,15.15,22.22,c:18,21|
Show InChI InChI=1S/C33H39N3O5S/c1-6-34-29(37)16-19-7-9-25-23(15-19)32(2,3)30-21-18-22-28(41-27(21)11-13-35(25)30)12-14-36-26-10-8-20(42(38,39)40)17-24(26)33(4,5)31(22)36/h7-10,15,17-18,21,27-28,30H,6,11-14,16H2,1-5H3,(H-,34,37,38,39,40)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells by SPA


J Med Chem 50: 2931-41 (2007)


Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2
More data for this
Ligand-Target Pair