BDBM97451 Aspartyl protease inhibitor, 17

SMILES COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1OC

InChI Key InChIKey=ZADOAXKTBHWISO-UHFFFAOYSA-O

Data  2 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 = 97451   

TargetCathepsin D(Human)
Philipps-Universität Marburg

LigandPNGBDBM97451(Aspartyl protease inhibitor, 17)
Affinity DataIC50: 570nMpH: 5.5Assay Description:Binding constants for inhibition of HIV protease were determined as previously described.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2013
Entry Details Article
PubMed
TargetGag-Pol polyprotein(HIV-1)
Philipps-Universität Marburg

LigandPNGBDBM97451(Aspartyl protease inhibitor, 17)
Affinity DataIC50: 2.21E+4nMpH: 5.5Assay Description:Binding constants for inhibition of HIV protease were determined as previously described.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2013
Entry Details Article
PubMed