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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50314294'   
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))
BDBM50314294
PNG
(1-(4-bromophenyl)-1-(1-cyclopentylpiperidin-4-yl)-...)
Show SMILES Fc1ccc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H29BrFN3O/c25-19-7-11-22(12-8-19)29(24(30)27-17-18-5-9-20(26)10-6-18)23-13-15-28(16-14-23)21-3-1-2-4-21/h5-12,21,23H,1-4,13-17H2,(H,27,30)
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Article
PubMed
n/an/a 202n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50314294
PNG
(1-(4-bromophenyl)-1-(1-cyclopentylpiperidin-4-yl)-...)
Show SMILES Fc1ccc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H29BrFN3O/c25-19-7-11-22(12-8-19)29(24(30)27-17-18-5-9-20(26)10-6-18)23-13-15-28(16-14-23)21-3-1-2-4-21/h5-12,21,23H,1-4,13-17H2,(H,27,30)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 202n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ion works assay


Bioorg Med Chem Lett 20: 2359-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.121
BindingDB Entry DOI: 10.7270/Q2Z31ZSM
More data for this
Ligand-Target Pair