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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 = 'BDBM50095762'   
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))
BDBM50095762
PNG
(CHEMBL3590459)
Show SMILES CCCCCCCN(CC)CC#Cc1ccc(C)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-9-5-4-6-10(2)14(9)15-11(17)7-13-16(3)12(18)8-19-13/h4-7H,8H2,1-3H3,(H,15,17)/b13-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.28E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095762
PNG
(CHEMBL3590459)
Show SMILES CCCCCCCN(CC)CC#Cc1ccc(C)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-9-5-4-6-10(2)14(9)15-11(17)7-13-16(3)12(18)8-19-13/h4-7H,8H2,1-3H3,(H,15,17)/b13-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.19E+3n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair