BDBM50085421 (1S,4R,7S,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)-6-hydroxy-7-(1-hydroxymethyl-vinyl)-8a-methyl-1,2,3,4,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid::CHEMBL310339

SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@H]([C@H](O)C=C12)C(=C)CO

InChI Key InChIKey=KQTWFHPYSNKJMM-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 = 50085421   

TargetIntegrase(Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50085421((1S,4R,7S,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)...)
Affinity DataIC50: 7.30E+4nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed