BDBM50149218 Benzo[b]thiophene-2-carboxylic acid::CHEMBL312607

SMILES OC(=O)c1cc2ccccc2s1

InChI Key InChIKey=DYSJMQABFPKAQM-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd

PDB links: 3 PDB IDs match this monomer.

  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 = 50149218   

TargetBcl-2-like protein 1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50149218(Benzo[b]thiophene-2-carboxylic acid | CHEMBL312607)
Affinity DataKi:  2.30E+5nMAssay Description:Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50149218(Benzo[b]thiophene-2-carboxylic acid | CHEMBL312607)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 10 mins by plate readerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Sunesis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50149218(Benzo[b]thiophene-2-carboxylic acid | CHEMBL312607)
Affinity DataKd: >1.00E+6nMAssay Description:Dissociation constant for Protein-tyrosine phosphatase 1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed