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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 = 'BDBM50095794'   
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))
BDBM50095794
PNG
(CHEMBL3590494)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.Cc1ccccc1-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccccc2C)[n+]1C
Show InChI InChI=1S/C36H28N.CHF3O3S/c1-27-9-4-6-13-35(27)31-21-15-29(16-22-31)19-25-33-11-8-12-34(37(33)3)26-20-30-17-23-32(24-18-30)36-14-7-5-10-28(36)2;2-1(3,4)8(5,6)7/h4-18,21-24H,1-3H3;(H,5,6,7)/q+1;/p-1
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
577n/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))
BDBM50095794
PNG
(CHEMBL3590494)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.Cc1ccccc1-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccccc2C)[n+]1C
Show InChI InChI=1S/C36H28N.CHF3O3S/c1-27-9-4-6-13-35(27)31-21-15-29(16-22-31)19-25-33-11-8-12-34(37(33)3)26-20-30-17-23-32(24-18-30)36-14-7-5-10-28(36)2;2-1(3,4)8(5,6)7/h4-18,21-24H,1-3H3;(H,5,6,7)/q+1;/p-1
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 203n/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