BDBM1206 (2R,3S,4S,1 S,2 R)-2-[[4-[[[2-(Benzimidazol-2-yl)propionyl]amino]methyl]benzyl]zmino]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-5-phenylpentan(2 -hydroxy-1 indanyl)amide::2-Aminobenzyl-Substituted AHPPA deriv. 23::tert-butyl N-[(2S,3R,4R)-4-{[(4-{[3-(1H-1,3-benzodiazol-2-yl)propanamido]methyl}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(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=CSMHYSGEPNQJPO-KSBVRXGCSA-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 = 1206   

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

Curated by ChEMBL
LigandPNGBDBM1206((2R,3S,4S,1 S,2 R)-2-[[4-[[[2-(Benzimidazol-2-yl)p...)
Affinity DataKi:  40.7nMAssay 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

LigandPNGBDBM1206((2R,3S,4S,1 S,2 R)-2-[[4-[[[2-(Benzimidazol-2-yl)p...)
Affinity DataKi:  41nM ΔG°:  -10.5kcal/mole IC50:  4.40E+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