BDBM8726 5-chloro-2-(2,4-dichlorophenoxy)phenol::CHEMBL849::TCL::Triclosan::US20230414581, Compound 35

SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl

InChI Key InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N

Data  26 KI  43 IC50  1 Kd

PDB links: 33 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 8726   

TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  0.00190nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assayMore data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  0.0500nMpH: 7.5Assay Description:ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).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...)
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(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  0.0521nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assayMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  0.109nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assayMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  0.281nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assayMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  0.798nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assayMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  1nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGCGMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  7.29nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCGMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  8nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of ECGMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  8.25nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGCMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  10nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of quercetinMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  13.7nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of buteinMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  28.3nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of ECGMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  30.5nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of quercetinMore 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...)
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 ArticlePubMed
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  50nMAssay Description:Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase expressed in E. coli BL21(DE3) by spectrophotometryMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  52.7nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCMore data for this Ligand-Target Pair
TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  60nMAssay Description:Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  71.0nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of buteinMore 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...)
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...)
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...)
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...)
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(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKi:  660nMAssay Description:Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoAMore 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...)
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 [NADPH] FabI(Staphylococcus aureus)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  70nMpH: 6.5 T: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  70nMpH: 6.5 T: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli)
Glaxosmithkline

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  430nMpH: 6.5 T: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
TargetTrans-2-enoyl-ACP reductase II(Streptococcus pneumoniae)
Glaxosmithkline

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50: >3.00E+4nMT: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  1.10E+3nMpH: 6.5 T: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli)
Glaxosmithkline

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  430nMT: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  1.10E+3nMT: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli)
Glaxosmithkline

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  430nMT: 2°CAssay Description:Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...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...)
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-ACP reductase(Plasmodium falciparum)
Jacobus Pharmaceutical

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  73nMpH: 7.9 T: 2°CAssay Description:PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...More data for this Ligand-Target Pair
TargetEnoyl-acyl carrier reductase(Plasmodium falciparum)
Bombay College Of Pharmacy

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  49nMpH: 7.4Assay Description:Inhibition assay using pfENR.More data for this Ligand-Target Pair
TargetEnoyl-acyl carrier reductase ENR(Toxoplasma gondii)
Johns Hopkins Bloomberg School Of Public Health

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  15nMpH: 7.5Assay Description:The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...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...)
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...)
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(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  73nMAssay Description:Inhibition of PfENR enzymatic activityMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  73nMAssay Description:Inhibition of Plasmodium falciparum ENR enzymatic activityMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  70nMAssay Description:Inhibition of Plasmodium falciparum recombinant FabIMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
Institute Of Sciences

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  5.35E+4nMpH: 4.4Assay Description:Inhibition of transthyretin fibril formation at pH 4.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransthyretin(Homo sapiens (Human))
Institute Of Sciences

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataKd:  1.44E+5nMpH: 4.4Assay Description:Binding affinity to transthyretin at pH 4.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
Stony Brook University

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  440nMAssay Description:Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...More data for this Ligand-Target Pair
TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  400nMAssay Description:Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  73nMAssay Description:Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductaseMore data for this Ligand-Target Pair
TargetEnoyl-ACP reductase(Plasmodium falciparum)
Jacobus Pharmaceutical

LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  200nMAssay Description:Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate ad...More data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(Plasmodium falciparum)
National Institute Of Immunology

Curated by ChEMBL
LigandPNGBDBM8726(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Affinity DataIC50:  70nMAssay Description:Inhibition of Plasmodium falciparum enoyl-ACP reductase assessed as oxidation of NADH to NAD+ after 10 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
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