BDBM9160 (2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-4-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::P3 benzofuran analog 10

SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F

InChI Key InChIKey=KQOVSEYTSQWNCB-CEWIDEQNSA-N

Data  3 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 3 hits for monomerid = 9160   

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

LigandPNGBDBM9160((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...)
Affinity DataIC50:  0.0300nMpH: 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
LigandPNGBDBM9160((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...)
Affinity DataIC50:  0.140nMAssay 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
LigandPNGBDBM9160((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...)
Affinity DataIC50:  0.920nMAssay 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