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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 = 'BDBM50352066'   
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))
BDBM50352066
PNG
(CHEMBL1824043)
Show SMILES Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C23H26FN5O4/c24-15-1-3-19-18(11-15)29(22(31)14-33-19)10-9-28-7-5-16(6-8-28)25-12-17-2-4-20-23(26-17)27-21(30)13-32-20/h1-4,11,16,25H,5-10,12-14H2,(H,26,27,30)
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PC cid
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Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiological assay


Bioorg Med Chem Lett 21: 5432-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50352066
PNG
(CHEMBL1824043)
Show SMILES Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C23H26FN5O4/c24-15-1-3-19-18(11-15)29(22(31)14-33-19)10-9-28-7-5-16(6-8-28)25-12-17-2-4-20-23(26-17)27-21(30)13-32-20/h1-4,11,16,25H,5-10,12-14H2,(H,26,27,30)
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 9.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair