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SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl

InChI Key InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N

PDB links: 33 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 8726   

TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Francisella tularensis)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  0.0510nM ΔG°:  -14.0kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constant binding to E-NAD+More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Burkholderia pseudomallei)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  32nM ΔG°:  -10.2kcal/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
BindingDB Entry DOI: 10.7270/Q2NP239FPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  200nMAssay Description:Inhibition of Mycobacterium tuberculosis H37RV InhAMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  200nMAssay Description:Uncompetitive inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrate in presence of NADHMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  200nMMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  200nMMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  220nMAssay Description:Inhibition of Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  220nM ΔG°:  -8.98kcal/molepH: 6.8 T: 2°CAssay Description:Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Francisella tularensis)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataKi:  5.00E+3nM ΔG°:  -7.23kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constant binding to E-NADHMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMpH: 6.8 T: 2°CAssay Description:The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:inhibition of Mycobacterium tuberculosis InhA after 20 mins by fluorometric assayMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 630nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using dodecyl coA as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Inhibition of wild type Mycobacterium tuberculosis inhAMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Francisella tularensis subsp. tularensis (strain S...)
Naval Research Laboratories

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using trans-2-decenoyl-N-acetylcysteamine as substrate preincubated for 1 hr followed by substrate addi...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 6.14E+3nMAssay Description:Inhibition of recombinant Mycobacterium tuberculosis InhA expressed in Escherichia coli Rosette(DE3) pLysS using trans-2-decenoyl-N-acetylcysteamine ...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis InhA using DD-CoA as substrateMore data for this Ligand-Target Pair