BDBM50050957 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-carboxy-3,3-dimethylbutanoyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid::3,3-Dimethyl-pentanedioic acid mono-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl) ester::CHEMBL273330

SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

InChI Key InChIKey=FXTCAQPTKOAIQP-AGOCENNXSA-N

Data  1 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 1 hit for monomerid = 50050957   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50050957((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-c...)
Affinity DataIC50: >1.67E+5nMAssay Description:Inhibitory activity of the compound against HIV-RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed