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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 = 'BDBM50256718'   
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))
BDBM50256718
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1
Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of ERG


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50256718
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1
Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40)
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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair