BDBM1203 2-Aminobenzyl-Substituted AHPPA deriv. 20::tert-butyl N-[(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]carbamate

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

InChI Key InChIKey=JINBNBDWOWBTIS-KVUXJRKHSA-N

Data  2 KI  1 IC50

  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 = 1203   

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

LigandPNGBDBM1203(2-Aminobenzyl-Substituted AHPPA deriv. 20 | tert-b...)
Affinity DataKi:  70nM ΔG°:  -10.1kcal/mole IC50:  2.60E+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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sandoz Forschungsinstitut Ges.M.B.H.

Curated by ChEMBL
LigandPNGBDBM1203(2-Aminobenzyl-Substituted AHPPA deriv. 20 | tert-b...)
Affinity DataKi:  70.8nMAssay Description:Inhibitory activity was determined against HIV type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed