BindingDB logo
myBDB logout

BDBM47889 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethoxy-indole-2,3-dione::1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethoxy-isatin::1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethoxyindole-2,3-dione::MLS001215939::SMR000544630::cid_17584476

SMILES: CCOc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1

InChI Key: InChIKey=IAZACPPCXPITJO-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 47889   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47889
PNG
(1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethox...)
Show SMILES CCOc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C19H17NO5/c1-2-23-12-7-8-15-14(9-12)18(21)19(22)20(15)10-13-11-24-16-5-3-4-6-17(16)25-13/h3-9,13H,2,10-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47889
PNG
(1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethox...)
Show SMILES CCOc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C19H17NO5/c1-2-23-12-7-8-15-14(9-12)18(21)19(22)20(15)10-13-11-24-16-5-3-4-6-17(16)25-13/h3-9,13H,2,10-11H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29K48NM
More data for this
Ligand-Target Pair