BDBM1211 2-Aminobenzyl-Substituted AHPPA deriv. 27::benzyl N-(2-carbamoyl-1-{[(2S,3R,4R)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}ethyl)carbamate

SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key InChIKey=XRCDVSDCBICGBC-ZSKIHAECSA-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 = 1211   

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

LigandPNGBDBM1211(2-Aminobenzyl-Substituted AHPPA deriv. 27 | benzyl...)
Affinity DataKi:  15nM ΔG°:  -11.1kcal/mole IC50:  1.40E+3nMpH: 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