BDBM66418 (E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(2-furanylmethylamino)-2-oxoethyl]-3-indolyl]-2-propenamide::(E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(2-furfurylamino)-2-keto-ethyl]indol-3-yl]acrylamide::(E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]indol-3-yl]prop-2-enamide::(E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]prop-2-enamide::2-Cyano-N-(3,5-dimethyl-phenyl)-3-(1-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-1H-indol-3-yl)-acrylamide::MLS000569212::SMR000177747::cid_5446513

SMILES Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1

InChI Key InChIKey=IUXJEXGEWOOMJH-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 66418   

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM66418(SMR000177747 | 2-Cyano-N-(3,5-dimethyl-phenyl)-3-(...)
Affinity DataIC50: 1.17E+3nMAssay 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
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM66418(SMR000177747 | 2-Cyano-N-(3,5-dimethyl-phenyl)-3-(...)
Affinity DataIC50: 1.17E+3nMAssay 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
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM66418(SMR000177747 | 2-Cyano-N-(3,5-dimethyl-phenyl)-3-(...)
Affinity DataEC50:  4.65E+3nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM66418(SMR000177747 | 2-Cyano-N-(3,5-dimethyl-phenyl)-3-(...)
Affinity DataIC50: 4.97E+3nMAssay 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
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay