BDBM54918 11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid::6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid::6-ethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid::MLS000586998::SMR000208928::cid_6618931

SMILES CCC1=Nc2cc(ccc2Sc2ccccc12)C(O)=O

InChI Key InChIKey=QRCZEZKMBUTHRX-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 54918   

TargetPlectin(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54918BDBM54918(MLS000586998 | 6-ethyl-3-benzo[b][1,4]benzothiazep...)
Affinity DataIC50: 7.18E+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:
6/5/2011
Entry Details
PCBioAssay
TargetPlectin(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54918BDBM54918(MLS000586998 | 6-ethyl-3-benzo[b][1,4]benzothiazep...)
Affinity DataIC50: 2.00E+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:
7/9/2011
Entry Details
PCBioAssay