BDBM859 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 24::benzyl N-[(1S)-1-{[(1S,2S)-1-[(16R,19R)-15,18-dioxo-16-(propan-2-yl)-2,5,8,11-tetraoxa-14,17,20-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-19-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2

InChI Key InChIKey=LRKUSTGJXNLIKZ-UHFFFAOYSA-N

Data  1 KI

  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 = 859   

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

LigandPNGBDBM859(benzyl N-[(1S)-1-{[(1S,2S)-1-[(16R,19R)-15,18-diox...)
Affinity DataKi:  7.5nM ΔG°:  -11.5kcal/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 Depth
Date in BDB:
7/6/2004
Entry Details Article
PubMed