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SMILES: [O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)C(=O)C(F)(F)F)cc1

InChI Key: InChIKey=DKNASAFVZPVTRW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095651   
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))
BDBM50095651
PNG
(CHEMBL3590451)
Show SMILES [O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O6/c19-18(20,21)17(25)22(10-9-13-1-3-14(4-2-13)23(26)27)11-12-30-16-7-5-15(6-8-16)24(28)29/h1-8H,9-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
355n/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))
BDBM50095651
PNG
(CHEMBL3590451)
Show SMILES [O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O6/c19-18(20,21)17(25)22(10-9-13-1-3-14(4-2-13)23(26)27)11-12-30-16-7-5-15(6-8-16)24(28)29/h1-8H,9-12H2
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 247n/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