BDBM50373349 CHEMBL264417::PT12

SMILES CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1

InChI Key InChIKey=NNNQXCYHIVPZRH-UHFFFAOYSA-N

Data  4 KI  4 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50373349   

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

LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataKi:  100nM ΔG°:  -9.54kcal/molepH: 8.0 T: 2°CAssay Description:Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Burkholderia pseudomallei)
Stony Brook University

LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataKi:  158nM ΔG°:  -9.27kcal/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 ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] [T276S](Yersinia pestis (Enterobacteria))
University Of Wurzburg

LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataKi:  4.00E+3nM ΔG°:  -7.36kcal/molepH: 8.0 T: 2°CAssay Description:Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] [T276S](Yersinia pestis (Enterobacteria))
University Of Wurzburg

LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataKi:  8.00E+3nM ΔG°:  -6.95kcal/molepH: 8.0 T: 2°CAssay Description:Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] [T276S](Yersinia pestis (Enterobacteria))
University Of Wurzburg

LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataIC50:  5.00E+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 ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Yersinia pestis (Enterobacteria))
University Of Wurzburg

LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataIC50:  200nMAssay 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 ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataIC50:  90nMAssay Description:Inhibition of 100 nM Mycobacterium tuberculosis H37RV InhAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50373349(CHEMBL264417 | PT12)
Affinity DataIC50:  1.11E+7nMAssay Description:Inhibition of Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair
In DepthDetails Article