BDBM114653 CHEMBL1719929::MLS003178552::N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;2,2,2-trifluoroacetic acid::N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]ethanamide;2,2,2-tris(fluoranyl)ethanoic acid::SMR001882357::cid_60138097

SMILES CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

InChI Key InChIKey=BNBPDLHZYILUPO-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 114653   

TargetMethyl-CpG-binding domain protein 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114653(CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...)
Affinity DataIC50:  5.86E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM114653(CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM114653(CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed