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SMILES: [O-]S(=O)(=O)C(F)(F)F.C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccc(O)cc1)C#Cc1ccc(cc1)-c1ccc(O)cc1

InChI Key: InChIKey=AONRPZKHWLJTQZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095833   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50095833
PNG
(CHEMBL3590500)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccc(O)cc1)C#Cc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C34H23NO2.CHF3O3S/c1-35-31(19-9-25-5-11-27(12-6-25)29-15-21-33(36)22-16-29)3-2-4-32(35)20-10-26-7-13-28(14-8-26)30-17-23-34(37)24-18-30;2-1(3,4)8(5,6)7/h2-8,11-18,21-24H,1H3,(H,36,37);(H,5,6,7)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
153n/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))
BDBM50095833
PNG
(CHEMBL3590500)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccc(O)cc1)C#Cc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C34H23NO2.CHF3O3S/c1-35-31(19-9-25-5-11-27(12-6-25)29-15-21-33(36)22-16-29)3-2-4-32(35)20-10-26-7-13-28(14-8-26)30-17-23-34(37)24-18-30;2-1(3,4)8(5,6)7/h2-8,11-18,21-24H,1H3,(H,36,37);(H,5,6,7)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 103n/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