BDBM875 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 2::benzyl N-[(1S)-1-{[(2S,3S,4R)-3-hydroxy-4-{[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate

SMILES COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2C(O)Cc3ccccc23)cc1

InChI Key InChIKey=ZVWSWYSIMOZTTG-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 875   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sandoz Research Institute

LigandPNGBDBM875(benzyl N-[(1S)-1-{[(2S,3S,4R)-3-hydroxy-4-{[(1S,2S...)
Affinity DataKi:  9.5nM ΔG°:  -11.4kcal/molepH: 6.25 T: 2°CAssay Description:Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDimer of Gag-Pol polyprotein [514-612](Human immunodeficiency virus 2)
Sandoz Research Institute

LigandPNGBDBM875(benzyl N-[(1S)-1-{[(2S,3S,4R)-3-hydroxy-4-{[(1S,2S...)
Affinity DataKi:  50nM ΔG°:  -10.4kcal/molepH: 4.7 T: 2°CAssay Description:Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed