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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 = 'BDBM50243844'   
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))
BDBM50243844
PNG
(1-(3-Chloro-phenyl)-3-[1-(3,3-dimethyl-butyl)-4-ph...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)Nc2cccc(Cl)c2)(CC1)c1ccccc1
Show InChI InChI=1S/C25H34ClN3O/c1-24(2,3)12-15-29-16-13-25(14-17-29,20-8-5-4-6-9-20)19-27-23(30)28-22-11-7-10-21(26)18-22/h4-11,18H,12-17,19H2,1-3H3,(H2,27,28,30)
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Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243844
PNG
(1-(3-Chloro-phenyl)-3-[1-(3,3-dimethyl-butyl)-4-ph...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)Nc2cccc(Cl)c2)(CC1)c1ccccc1
Show InChI InChI=1S/C25H34ClN3O/c1-24(2,3)12-15-29-16-13-25(14-17-29,20-8-5-4-6-9-20)19-27-23(30)28-22-11-7-10-21(26)18-22/h4-11,18H,12-17,19H2,1-3H3,(H2,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair