BDBM1225 2-Aminobenzyl-Substituted AHPPA deriv. 43::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-({[4-(acetamidomethyl)phenyl]methyl}amino)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate

SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key InChIKey=IEUIJGWCRLTETI-QAQBJLFZSA-N

Data  2 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 2 hits for monomerid = 1225   

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

LigandPNGBDBM1225(2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...)
Affinity DataKi:  5.70nM IC50:  99nMAssay 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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sandoz Forschungsinstitut Ges.M.B.H.

Curated by ChEMBL
LigandPNGBDBM1225(2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...)
Affinity DataKi:  5.75nMAssay Description:Inhibitory activity was determined against HIV type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed