BDBM76378 2-benzo[g][1]benzothiolecarboxylic acid ethyl ester;hexanedioic acid::MLS000549205::SMR000113790::adipic acid;benzo[g]benzothiophene-2-carboxylic acid ethyl ester::cid_9549107::ethyl benzo[g][1]benzothiole-2-carboxylate;hexanedioic acid::ethyl naphtho[1,2-b]thiophene-2-carboxylate

SMILES CCOC(=O)c1cc2ccc3ccccc3c2s1

InChI Key InChIKey=RNHHICBDWVELEF-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 76378   

TargetCaspase-3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 76378BDBM76378(ethyl benzo[g][1]benzothiole-2-carboxylate;hexaned...)
Affinity DataIC50: 4.95E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 76378BDBM76378(ethyl benzo[g][1]benzothiole-2-carboxylate;hexaned...)
Affinity DataIC50: 7.09E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 76378BDBM76378(ethyl benzo[g][1]benzothiole-2-carboxylate;hexaned...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay