BDBM9101 (2S)-4-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-{[5-(4-methylpyridin-3-yl)furan-2-yl]methyl}butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::3-(5-methyl-2-furyl)-4-methylpyridine analog 19

SMILES Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(o3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1

InChI Key InChIKey=NUZHSQZGCWZLGP-NWPKOSFFSA-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 = 9101   

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

LigandPNGBDBM9101((2S)-4-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1-[(...)
Affinity DataIC50:  0.0800nMpH: 5.5 T: 30°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