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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 = 'BDBM50402386'   
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))
BDBM50402386
PNG
(CHEMBL2207747)
Show SMILES CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8,THB:12:11:4.5.10:7.8|
Show InChI InChI=1S/C23H26N4O2S/c1-15(28)25-17-13-18-6-7-19(14-17)27(18)12-10-16-4-8-20(9-5-16)29-23-26-22-21(30-23)3-2-11-24-22/h2-5,8-9,11,17-19H,6-7,10,12-14H2,1H3,(H,25,28)
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PC cid
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Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402386
PNG
(CHEMBL2207747)
Show SMILES CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8,THB:12:11:4.5.10:7.8|
Show InChI InChI=1S/C23H26N4O2S/c1-15(28)25-17-13-18-6-7-19(14-17)27(18)12-10-16-4-8-20(9-5-16)29-23-26-22-21(30-23)3-2-11-24-22/h2-5,8-9,11,17-19H,6-7,10,12-14H2,1H3,(H,25,28)
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 8.30E+3n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair