BDBM868 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 17::tert-butyl N-[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(propan-2-yl)-2,5-dioxa-8,11,14-triazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate

SMILES CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key InChIKey=BEYIKFKXDNCIOO-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 868   

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

LigandPNGBDBM868(tert-butyl N-[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(...)
Affinity DataKi:  68.8nM ΔG°:  -10.2kcal/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