BDBM67053 MLS002276356::SMR001317991::[(2S,3aS,3bR,5aS,9aS,9bR,11aS)-2-[(2S)-2-acetyloxy-5-oxidanylidene-2H-furan-3-yl]-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][1]benzofuran-11a-yl]methyl ethanoate::[(2S,3aS,3bR,5aS,9aS,9bR,11aS)-2-[(2S)-2-acetyloxy-5-oxo-2H-furan-3-yl]-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][1]benzofuran-11a-yl]methyl acetate::acetic acid [(2S,3aS,3bR,5aS,9aS,9bR,11aS)-2-[(2S)-2-acetoxy-5-keto-2H-furan-3-yl]-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e]benzofuran-11a-yl]methyl ester::acetic acid [(2S,3aS,3bR,5aS,9aS,9bR,11aS)-2-[(2S)-2-acetyloxy-5-oxo-2H-furan-3-yl]-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e]benzofuran-11a-yl]methyl ester::cid_44201403

SMILES CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@H](O2)C1=CC(=O)O[C@@H]1OC(C)=O

InChI Key InChIKey=RJZULDNPMPWJSC-UNYUUCQMSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 67053   

TargetBcl-2-like protein 11(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM67053(MLS002276356 | SMR001317991 | [(2S,3aS,3bR,5aS,9aS...)
Affinity DataEC50:  4.98E+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 DepthDetails PCBioAssay