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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 = 'BDBM50348231'   
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))
BDBM50348231
PNG
(CHEMBL1683351)
Show SMILES OC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C#N)c2ccccn2c1=O
Show InChI InChI=1S/C22H20N4O3/c23-14-16-4-6-18(7-5-16)25-11-9-24(10-12-25)15-17-13-19(22(28)29)21(27)26-8-2-1-3-20(17)26/h1-8,13H,9-12,15H2,(H,28,29)
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Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 1: 263-267 (2010)


Article DOI: 10.1021/ml100095k
BindingDB Entry DOI: 10.7270/Q2S75HC6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50348231
PNG
(CHEMBL1683351)
Show SMILES OC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C#N)c2ccccn2c1=O
Show InChI InChI=1S/C22H20N4O3/c23-14-16-4-6-18(7-5-16)25-11-9-24(10-12-25)15-17-13-19(22(28)29)21(27)26-8-2-1-3-20(17)26/h1-8,13H,9-12,15H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 54: 4773-80 (2011)


Article DOI: 10.1021/jm200400m
BindingDB Entry DOI: 10.7270/Q2HQ408M
More data for this
Ligand-Target Pair