BDBM9169 N-alkoxysulfonamide analog 9::N-alkoxysulfonamide analog entry i::methyl N-[(1S)-1-{[(2S,3R)-4-[(cyclopentyloxy)(4-methoxybenzene)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate

SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(OC)cc1)C(C)(C)C

InChI Key InChIKey=VMXVHXSZACZJHA-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 9169   

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

LigandPNGBDBM9169(methyl N-[(1S)-1-{[(2S,3R)-4-[(cyclopentyloxy)(4-m...)
Affinity DataKi:  0.0900nM ΔG°:  -13.7kcal/mole IC50: 203nMpH: 6.8 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:
5/16/2006
Entry Details Article
PubMed