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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 = 'BDBM50414961'   
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))
BDBM50414961
PNG
(CHEMBL567419)
Show SMILES CC(C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)20-31-24-6-4-3-5-23(24)19-28-15-9-26(10-16-28)11-17-29(18-12-26)25(30)22-7-13-27-14-8-22/h3-8,13-14,21H,9-12,15-20H2,1-2H3
PDB
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PC cid
PC sid
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Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type human ERG expressed in CHOK1 cells by whole-cell plate-based electrophysiology


J Med Chem 52: 7706-23 (2009)


Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414961
PNG
(CHEMBL567419)
Show SMILES CC(C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)20-31-24-6-4-3-5-23(24)19-28-15-9-26(10-16-28)11-17-29(18-12-26)25(30)22-7-13-27-14-8-22/h3-8,13-14,21H,9-12,15-20H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method


J Med Chem 52: 7706-23 (2009)


Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP
More data for this
Ligand-Target Pair