new BindingDB logo
myBDB logout

BDBM50214364 11-ethyl-1-(3-{[2-(4-methanesulfonylamino-phenoxy)-ethyl]-[2-(4-methanesulfonylamino-phenyl)-ethyl]-carbamoyl}-propyl)-3,4,5a,6,8,9,10,11-octahydro-2H-13-oxa-6,11-diaza-1-azonia-pentacene::CHEMBL390301

SMILES: CCN1CCCc2cc3NC4C=C5CCC[N+](CCCC(=O)N(CCOc6ccc(NS(C)(=O)=O)cc6)CCc6ccc(NS(C)(=O)=O)cc6)=C5C=C4Oc3cc12

InChI Key: InChIKey=VWPSGNMASYNXMF-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214364   
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))
BDBM50214364
PNG
(11-ethyl-1-(3-{[2-(4-methanesulfonylamino-phenoxy)...)
Show SMILES CCN1CCCc2cc3NC4C=C5CCC[N+](CCCC(=O)N(CCOc6ccc(NS(C)(=O)=O)cc6)CCc6ccc(NS(C)(=O)=O)cc6)=C5C=C4Oc3cc12 |w:10.10,c:51,54,t:11|
Show InChI InChI=1S/C42H53N6O7S2/c1-4-46-20-5-8-31-26-36-40(28-38(31)46)55-41-29-39-32(27-37(41)43-36)9-6-21-47(39)22-7-10-42(49)48(23-19-30-11-13-33(14-12-30)44-56(2,50)51)24-25-54-35-17-15-34(16-18-35)45-57(3,52)53/h11-18,26-29,37,43-45H,4-10,19-25H2,1-3H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells by SPA


J Med Chem 50: 2931-41 (2007)


Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2
More data for this
Ligand-Target Pair