BDBM3426 2-[(2S)-4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl]-N-(2-hydroxyethyl)-5-methyl-N-(2-phenylpropan-2-yl)benzamide::diarylbutanol deriv. 12S

SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1

InChI Key InChIKey=MBNPLZRTGOAFGX-UHFFFAOYSA-N

Data  1 KI

  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 = 3426   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

LigandPNGBDBM3426(2-[(2S)-4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)...)
Affinity DataKi:  1.40E+3nM ΔG°:  -8.30kcal/molepH: 5.6 T: 2°CAssay Description:Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2005
Entry Details Article
PubMed