BDBM863 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 27::tert-butyl N-[(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]carbamate

SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key InChIKey=HGRKOLDVMGOTDN-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 = 863   

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

LigandPNGBDBM863(tert-butyl N-[(1S,2S)-1-[(16R,19R)-15,18-dioxo-16-...)
Affinity DataKi:  23.2nM ΔG°:  -10.8kcal/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