BDBM50085432 (1S,4R,7S,8aR)-7-(2,2-Dihydroxy-1-methyl-ethyl)-4-((E)-2,4-dimethyl-oct-2-enoyloxy)-8a-methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid::CHEMBL79880

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

InChI Key InChIKey=XRJZHQPAQPJSOX-KRLZKKECSA-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 = 50085432   

TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50085432((1S,4R,7S,8aR)-7-(2,2-Dihydroxy-1-methyl-ethyl)-4-...)
Affinity DataIC50:  4.00E+4nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed