BDBM190651 LOX inhibitor, 5::PT113

SMILES CCCCCCc1ccc(Oc2ccccc2F)c(O)c1

InChI Key InChIKey=PQBKSTWDKFQMTD-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 190651   

TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Yersinia pestis)
University of Wurzburg

LigandPNGBDBM190651(PT113 | LOX inhibitor, 5)
Affinity DataIC50: 100nMAssay Description:IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2016
Entry Details Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] [T276S](Yersinia pestis)
University of Wurzburg

LigandPNGBDBM190651(PT113 | LOX inhibitor, 5)
Affinity DataIC50: 8.00E+3nMAssay Description:IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2016
Entry Details Article
PubMed
TargetArachidonate 15-lipoxygenase(Pseudomonas aeruginosa)
University of California Santa Cruz

LigandPNGBDBM190651(PT113 | LOX inhibitor, 5)
Affinity DataIC50: 1.00E+3nMpH: 7.0 T: 2°CAssay Description:The one-point inhibition percentages were determined for human LOX inhibitors by following the formation of the conjugated diene product at 234 nm (&...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2016
Entry Details Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Burkholderia pseudomallei)
Stony Brook University

LigandPNGBDBM190651(PT113 | LOX inhibitor, 5)
Affinity DataKi:  105nM ΔG°:  -9.51kcal/molepH: 8.0 T: 2°CAssay Description:Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2017
Entry Details Article
PubMed