BDBM50050954 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(2-Carboxymethoxy-acetoxy)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid::(4aS,6aR,6bR,8aR,10S,12aR,12bR,14aS)-10-(2-(carboxymethoxy)acetoxy)-2,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-icosahydropicene-4a-carboxylic acid::CHEMBL263957

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)COCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

InChI Key InChIKey=NOTNRQZZLMGVGV-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050954   

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

Curated by ChEMBL
LigandPNGBDBM50050954((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(2-C...)
Affinity DataIC50: 1.75E+5nMAssay Description:Inhibitory activity against HIV-RTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed