BDBM874 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1::benzyl N-[(1S)-1-{[(2S,3S,4R)-4-{[(1R)-1-[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl]-2-methylpropyl]carbamoyl}-3-hydroxy-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)NC(C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1

InChI Key InChIKey=VDAMGRGIJMNRLL-ILOASLALSA-N

Data  2 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 2 hits for monomerid = 874   

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

LigandPNGBDBM874(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1 | ...)
Affinity DataKi:  3.40nM ΔG°:  -12.0kcal/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 ArticlePubMed
TargetDimer of Gag-Pol polyprotein [514-612](Human immunodeficiency virus type 2)
Sandoz Research Institute

LigandPNGBDBM874(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1 | ...)
Affinity DataKi:  120nM ΔG°:  -9.81kcal/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 ArticlePubMed