BDBM50085434 (E)-2,4-Dimethyl-oct-2-enoic acid (1R,4S,4aR,6S)-4-(N,N'-dicyclohexyl-carbamimidoyloxycarbonyl)-6-(1-formyl-vinyl)-4a-methyl-7-oxo-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-yl ester::CHEMBL306576

SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)OC(NC2CCCCC2)=NC2CCCCC2)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12

InChI Key InChIKey=ULMDAAQXWOWBII-QOOQNJDMSA-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 = 50085434   

TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50085434((E)-2,4-Dimethyl-oct-2-enoic acid (1R,4S,4aR,6S)-4...)
Affinity DataIC50:  8.80E+4nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed