BDBM87506 (3S,5R,10S,13S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-dione::(3S,5R,10S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-dione::(3S,5R,10S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-quinone::MLS002554465::SMR001475746::cid_44263760

SMILES C[C@]12CCC3C(C1CCC2=O)C(=O)C[C@H]1C[C@@H](O)CC[C@]31C

InChI Key InChIKey=ONVVZSHYQMOXLN-VNVGQYLASA-N

Data  1 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 1 hit for monomerid = 87506   

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM87506((3S,5R,10S,13S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,...)
Affinity DataIC50:  3.38E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay