BDBM114960 CHEMBL1705313::MLS002607795::N-[3-(1,3-benzothiazol-2-yl)-7-isopropyl-4,5,6,8-tetrahydrothien[2,3-c]azepin-2-yl]acetamide;2,2,2-trifluoroacetic acid::N-[3-(1,3-benzothiazol-2-yl)-7-propan-2-yl-4,5,6,8-tetrahydrothieno[2,3-c]azepin-2-yl]acetamide;2,2,2-trifluoroacetic acid::N-[3-(1,3-benzothiazol-2-yl)-7-propan-2-yl-4,5,6,8-tetrahydrothieno[2,3-c]azepin-2-yl]ethanamide;2,2,2-tris(fluoranyl)ethanoic acid::SMR001522669::cid_53338854

SMILES CC(C)N1CCCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

InChI Key InChIKey=BBGBEKIWIWQGAB-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 114960   

TargetOxysterols receptor LXR-beta(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114960(SMR001522669 | CHEMBL1705313 | N-[3-(1,3-benzothia...)
Affinity DataIC50: 6.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetNuclear hormone receptor family member daf-12(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114960(SMR001522669 | CHEMBL1705313 | N-[3-(1,3-benzothia...)
Affinity DataIC50: 6.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM114960(SMR001522669 | CHEMBL1705313 | N-[3-(1,3-benzothia...)
Affinity DataIC50: 1.40E+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 Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM114960(SMR001522669 | CHEMBL1705313 | N-[3-(1,3-benzothia...)
Affinity DataIC50: 1.29E+4nMAssay Description:Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed