BDBM856 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 22::benzyl N-[(1S)-1-{[(1S,2S)-1-[(9R,12R)-8,11-dioxo-9-(propan-2-yl)-2-oxa-7,10,13-triazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-12-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(OCCCCNC(=O)C(NC1=O)C(C)C)cc2

InChI Key InChIKey=SFYLJGNBGITWFY-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 = 856   

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

LigandPNGBDBM856(benzyl N-[(1S)-1-{[(1S,2S)-1-[(9R,12R)-8,11-dioxo-...)
Affinity DataKi:  6.60nM ΔG°:  -11.6kcal/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