BDBM1196 2-Aminobenzyl-Substituted AHPPA deriv. 11::tert-butyl N-[(2S,3R,4R)-4-({[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl](phenyl)methyl}carbamoyl)-3-hydroxy-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamate

SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)cc1

InChI Key InChIKey=LLVJVNVNDLXYES-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 = 1196   

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

LigandPNGBDBM1196(tert-butyl N-[(2S,3R,4R)-4-({[(1H-1,3-benzodiazol-...)
Affinity DataKi:  11nM ΔG°:  -11.3kcal/mole IC50: 380nMpH: 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:
9/27/2004
Entry Details Article
PubMed