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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 = 'BDBM50128001'   
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))
BDBM50128001
PNG
(1-{2-[4-(5-Chloro-1-cyclohexyl-1H-indol-3-yl)-pipe...)
Show SMILES Clc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)C1CCCCC1
Show InChI InChI=1S/C24H33ClN4O/c25-19-6-7-23-21(16-19)22(17-29(23)20-4-2-1-3-5-20)18-8-11-27(12-9-18)14-15-28-13-10-26-24(28)30/h6-7,16-18,20H,1-5,8-15H2,(H,26,30)
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PC cid
PC sid
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n/an/a 137n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1


Bioorg Med Chem Lett 13: 1829-35 (2003)


BindingDB Entry DOI: 10.7270/Q2TX3FX0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128001
PNG
(1-{2-[4-(5-Chloro-1-cyclohexyl-1H-indol-3-yl)-pipe...)
Show SMILES Clc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)C1CCCCC1
Show InChI InChI=1S/C24H33ClN4O/c25-19-6-7-23-21(16-19)22(17-29(23)20-4-2-1-3-5-20)18-8-11-27(12-9-18)14-15-28-13-10-26-24(28)30/h6-7,16-18,20H,1-5,8-15H2,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 138n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair