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BDBM50344859 3-amino-3-(benzo[d][1,3]dioxol-5-yl)-1-pentylindolin-2-one::CHEMBL1780051

SMILES: CCCCCN1C(=O)C(N)(c2ccccc12)c1ccc2OCOc2c1

InChI Key: InChIKey=KIKGQWJOVIVOSY-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344859   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50344859
PNG
(3-amino-3-(benzo[d][1,3]dioxol-5-yl)-1-pentylindol...)
Show SMILES CCCCCN1C(=O)C(N)(c2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1/C20H22N2O3/c1-2-3-6-11-22-16-8-5-4-7-15(16)20(21,19(22)23)14-9-10-17-18(12-14)25-13-24-17/h4-5,7-10,12H,2-3,6,11,13,21H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay


Bioorg Med Chem Lett 21: 3676-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ
More data for this
Ligand-Target Pair