BDBM13737 (2S)-3-[(3S)-3-benzyl-5-oxo-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl]-N-(cyclopentylmethyl)-2-hydroxy-N-(4-methoxyphenyl)propane-1-sulfonamido::morpholinone-based inhibitor 35

SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC2(CCOCC2)C1=O)CC1CCCC1

InChI Key InChIKey=IWXVUTHBNOZHND-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 = 13737   

TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM13737((2S)-3-[(3S)-3-benzyl-5-oxo-1,9-dioxa-4-azaspiro[5...)
Affinity DataKi:  23nM ΔG°:  -10.4kcal/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2007
Entry Details Article
PubMed