BDBM35982 cyclic compound, 14c-E

SMILES COc1ccc2c(OCC\C=C\CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1

InChI Key InChIKey=ZQJBDIZBNGQJDT-UHFFFAOYSA-N

Data  1 KI  1 EC50

  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 = 35982   

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

LigandPNGBDBM35982(cyclic compound, 14c-E)
Affinity DataKi:  0.0600nM ΔG°:  -13.9kcal/mole EC50:  7nMpH: 6.4 T: 2°CAssay Description:The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2009
Entry Details Article
PubMed