BDBM68198 (3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(3-furyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(furan-3-yl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-7-ethyl-3-(3-furanyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-7-ethyl-3-(furan-3-yl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::MLS000882833::SMR000465396::cid_16746350

SMILES CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccoc1

InChI Key InChIKey=YOTSGQVSOQZGGF-GTAWCEEGSA-N

Data  5 IC50

  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 5 hits for monomerid = 68198   

TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68198((3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(3-furyl)-3a,6,...)
Affinity DataIC50: >1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM10(Saccharomyces cerevisiae S288c)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68198((3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(3-furyl)-3a,6,...)
Affinity DataIC50:  7.61E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68198((3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(3-furyl)-3a,6,...)
Affinity DataIC50:  1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM23(Saccharomyces cerevisiae S288c)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM68198((3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(3-furyl)-3a,6,...)
Affinity DataIC50:  7.42E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68198((3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(3-furyl)-3a,6,...)
Affinity DataIC50: >1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay