BDBM9098 (2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl}-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-{thieno[2,3-c]pyridin-2-ylmethyl}butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::pyridylthiophene analog 16

SMILES CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1

InChI Key InChIKey=RCKWMABJCMHYRX-KCMFSSCLSA-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 = 9098   

TargetDimer of Gag-Pol polyprotein [489-587,Q496K](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM9098((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...)
Affinity DataIC50: <0.0200nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed