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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 = 'BDBM50349485'   
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))
BDBM50349485
PNG
(CHEMBL1808625)
Show SMILES Cc1[nH]c2ccccc2c1CC(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
Show InChI InChI=1S/C22H21N3O3/c1-14-19(18-4-2-3-5-20(18)23-14)11-22(27)25-12-16-8-6-15(10-17(16)13-25)7-9-21(26)24-28/h2-10,23,28H,11-13H2,1H3,(H,24,26)/b9-7+
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated patch clamp assay


Bioorg Med Chem Lett 21: 4909-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.015
BindingDB Entry DOI: 10.7270/Q2542NZQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50349485
PNG
(CHEMBL1808625)
Show SMILES Cc1[nH]c2ccccc2c1CC(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
Show InChI InChI=1S/C22H21N3O3/c1-14-19(18-4-2-3-5-20(18)23-14)11-22(27)25-12-16-8-6-15(10-17(16)13-25)7-9-21(26)24-28/h2-10,23,28H,11-13H2,1H3,(H,24,26)/b9-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human ERG by radioligand binding assay


Bioorg Med Chem Lett 21: 4909-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.015
BindingDB Entry DOI: 10.7270/Q2542NZQ
More data for this
Ligand-Target Pair