BDBM50085429 (R)-2,4-Dimethyl-oct-2-enoic acid (1S,5S,8aR)-6-((E)-1-formyl-vinyl)-4-((S)-1-methoxycarbonyl-3-methyl-butylcarbamoyl)-4a-methyl-7-oxo-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-yl ester::CHEMBL80568

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

InChI Key InChIKey=ORKGXMBZXZHPOQ-AUSATODQSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085429   

TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50085429((R)-2,4-Dimethyl-oct-2-enoic acid (1S,5S,8aR)-6-((...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed