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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 = 'BDBM50127988'   
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))
BDBM50127988
PNG
(4-[4-(Hydroxy-diphenyl-methyl)-piperidin-1-yl]-1-[...)
Show SMILES CC(C)(O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H39NO3/c1-30(2,34)25-17-15-24(16-18-25)29(33)14-9-21-32-22-19-28(20-23-32)31(35,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,33-35H,9,14,19-23H2,1-2H3
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Article
PubMed
n/an/a 457n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50127988
PNG
(4-[4-(Hydroxy-diphenyl-methyl)-piperidin-1-yl]-1-[...)
Show SMILES CC(C)(O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H39NO3/c1-30(2,34)25-17-15-24(16-18-25)29(33)14-9-21-32-22-19-28(20-23-32)31(35,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,33-35H,9,14,19-23H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 460n/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