BDBM513 (2S,3R,4R,4aS,6aR,6bR,8aS,12aS,14aS,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid::Cancer Chemotherapy National Service Center (CCNSC) compound 382025::NSC 382025

SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@@]1(C)C2=CC[C@@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@](C)(C(O)=O)[C@@]3([H])CC[C@@]12C)C(O)=O

InChI Key InChIKey=IDGXIXSKISLYAC-UHFFFAOYSA-N

Data  1 IC50

  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 = 513   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Institutes of Health

LigandPNGBDBM513((2S,3R,4R,4aS,6aR,6bR,8aS,12aS,14aS,14bR)-2,3-dihy...)
Affinity DataIC50: 3.50E+4nMpH: 6.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2004
Entry Details Article
PubMed