BDBM1201 2-Aminobenzyl-Substituted AHPPA deriv. 18::tert-butyl N-[(2S,3R,4R)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-({[4-(2-hydroxyethoxy)phenyl]methyl}amino)-1-phenylbutan-2-yl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=VNLINLIDWTTYAX-JWXZHISWSA-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 = 1201   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sandoz Forschungsinstitut Ges.M.B.H.

Curated by ChEMBL
LigandPNGBDBM1201(2-Aminobenzyl-Substituted AHPPA deriv. 18 | tert-b...)
Affinity DataKi:  79.4nMAssay Description:Inhibitory activity was determined against HIV type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sandoz Research Institute

LigandPNGBDBM1201(2-Aminobenzyl-Substituted AHPPA deriv. 18 | tert-b...)
Affinity DataKi:  80nM ΔG°:  -10.1kcal/mole IC50:  4.00E+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