BDBM190650 LOX inhibitor, MLS000545091::PT91

SMILES CCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1

InChI Key InChIKey=QXCNLBOWURGQPC-UHFFFAOYSA-N

Data  2 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 190650   

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

LigandPNGBDBM190650(PT91 | LOX inhibitor, MLS000545091)
Affinity DataIC50: 4.00E+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 DepthDetails Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] [T276S](Yersinia pestis)
University of Wurzburg

LigandPNGBDBM190650(PT91 | LOX inhibitor, MLS000545091)
Affinity DataIC50: 1.00E+5nMAssay 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 DepthDetails Article
PubMed
TargetArachidonate 15-lipoxygenase(Pseudomonas aeruginosa)
University of California Santa Cruz

LigandPNGBDBM190650(PT91 | LOX inhibitor, MLS000545091)
Affinity DataIC50: 2.60E+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 DepthDetails Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM190650(PT91 | LOX inhibitor, MLS000545091)
Affinity DataIC50: 49nMAssay Description:Inhibition of Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Cnrs

Curated by ChEMBL
LigandPNGBDBM190650(PT91 | LOX inhibitor, MLS000545091)
Affinity DataKi:  0.960nMAssay Description:Inhibition of Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Burkholderia pseudomallei)
Stony Brook University

LigandPNGBDBM190650(PT91 | LOX inhibitor, MLS000545091)
Affinity DataKi:  25nM ΔG°:  -10.4kcal/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 DepthDetails Article
PubMed