BDBM114651 CHEMBL1716096::MLS002607798::N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-4,5,7,8-tetrahydrothien[2,3-d]azepin-2-yl]acetamide;2,2,2-trifluoroacetic acid::N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-2-yl]acetamide;2,2,2-trifluoroacetic acid::N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-2-yl]ethanamide;2,2,2-tris(fluoranyl)ethanoic acid::SMR001522672::cid_53338857

SMILES CC(C)N1CCc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2CC1

InChI Key InChIKey=XIUAEGMIDSHUCY-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 = 114651   

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

Curated by PubChem BioAssay
LigandPNGBDBM114651(CHEMBL1716096 | MLS002607798 | N-[3-(1,3-benzothia...)
Affinity DataIC50:  9.59E+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
LigandPNGBDBM114651(CHEMBL1716096 | MLS002607798 | N-[3-(1,3-benzothia...)
Affinity DataIC50:  1.30E+4nMAssay 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
LigandPNGBDBM114651(CHEMBL1716096 | MLS002607798 | N-[3-(1,3-benzothia...)
Affinity DataIC50:  1.76E+4nMAssay Description:Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed