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

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

SMILES c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl

InChI Key InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N

Data 30 KI 43 IC50 1 Kd

PDB links: 33 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 74 hits for monomerid = 8726

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 0.00190nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assayMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
PubMed PDB

3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 0.00700nMAssay Description:Inhibition of wild type Escherichia coli FabI assessed as inhibition of bacterial growthMore data for this Ligand-Target Pair

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Date in BDB:
4/19/2024
Entry Details
PubMed PDB

3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
Stony Brook University

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 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

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Date in BDB:
7/1/2013
Entry Details Article
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3D Structure (crystal)

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

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 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

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Date in BDB:
4/1/2011
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 0.0521nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assayMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 0.109nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assayMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 0.281nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assayMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 0.798nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assayMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 1nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGCGMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 5nMAssay Description:Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8More data for this Ligand-Target Pair

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Date in BDB:
9/1/2020
Entry Details Article
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
Stony Brook University

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 5nMAssay Description:Inhibition of Staphylococcus aureus FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rateMore data for this Ligand-Target Pair

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Date in BDB:
4/19/2024
Entry Details
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 7.29nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCGMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 8nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of ECGMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 8.25nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of EGCMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 10nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of quercetinMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 13.7nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of buteinMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
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3D Structure (crystal)

Enoyl-acyl carrier reductase ENR(Toxoplasma gondii)
Johns Hopkins Bloomberg School of Public Health

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
9/30/2014
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3D Structure (crystal)

Enoyl-acyl carrier reductase ENR(Toxoplasma gondii)
Johns Hopkins Bloomberg School of Public Health

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 15nMAssay Description:Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductaseMore data for this Ligand-Target Pair

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Date in BDB:
4/13/2014
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl carrier reductase ENR(Toxoplasma gondii)
Johns Hopkins Bloomberg School of Public Health

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 15nMAssay Description:Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACPMore data for this Ligand-Target Pair

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Date in BDB:
9/24/2013
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 28.3nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of ECGMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 30.5nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of quercetinMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Burkholderia pseudomallei)
Stony Brook University

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 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

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Date in BDB:
4/26/2017
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Enoyl-acyl carrier reductase(malaria parasite P. falciparum)
Bombay College of Pharmacy

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 49nMpH: 7.4Assay Description:Inhibition assay using pfENR.More data for this Ligand-Target Pair

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Date in BDB:
7/1/2013
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 50nMAssay Description:Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase expressed in Escherichia coli BL21(DE3) by spectrophotometryMore data for this Ligand-Target Pair

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Date in BDB:
8/26/2010
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 52.7nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
Stony Brook University

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 59nMAssay Description:Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 minsMore data for this Ligand-Target Pair

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Date in BDB:
5/17/2013
Entry Details Article
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3D Structure (crystal)

Carbonyl reductase [NADPH] 1(Human)
UniversitäT TüBingen

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 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

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Date in BDB:
1/11/2010
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Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 66nMAssay Description:Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cellsMore data for this Ligand-Target Pair

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Date in BDB:
12/10/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 70nMAssay Description:Inhibition of Plasmodium falciparum recombinant FabIMore data for this Ligand-Target Pair

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Date in BDB:
1/11/2010
Entry Details Article
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
Stony Brook University

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
4/17/2006
Entry Details Article
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
Stony Brook University

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

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Date in BDB:
4/17/2006
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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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Date in BDB:
7/22/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 71.0nMAssay Description:Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of buteinMore data for this Ligand-Target Pair

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Date in BDB:
12/9/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 73nMAssay Description:Inhibition of Plasmodium falciparum ENR enzymatic activityMore data for this Ligand-Target Pair

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Date in BDB:
11/10/2009
Entry Details Article
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3D Structure (crystal)

Enoyl-ACP reductase(malaria parasite P. falciparum)
Jacobus Pharmaceutical

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
11/11/2008
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 73nMAssay Description:Inhibition of PfENR enzymatic activityMore data for this Ligand-Target Pair

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Date in BDB:
11/10/2009
Entry Details Article
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3D Structure (crystal)

Enoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 73nMAssay Description:Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductaseMore data for this Ligand-Target Pair

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Date in BDB:
8/26/2010
Entry Details Article
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 200nMAssay Description:Inhibition of Mycobacterial tuberculosis ATCC 25618 FabI assessed as measuring NADH consumption rateMore data for this Ligand-Target Pair

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Date in BDB:
4/19/2024
Entry Details
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 200nMAssay Description:Inhibition of wild type Mycobacterium tuberculosis inhAMore data for this Ligand-Target Pair

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Date in BDB:
7/25/2014
Entry Details Article
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 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

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Date in BDB:
8/6/2020
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 200nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair

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Date in BDB:
4/21/2024
Entry Details
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3D Structure (crystal)

Enoyl-ACP reductase(malaria parasite P. falciparum)
Jacobus Pharmaceutical

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
3/23/2012
Entry Details Article
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 200nMAssay Description:Inhibition of Mycobacterium tuberculosis H37RV InhAMore data for this Ligand-Target Pair

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Date in BDB:
12/15/2012
Entry Details Article
PubMed PDB

3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 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

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Date in BDB:
6/10/2007
Entry Details Article
PubMed PDB

3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

Ki: 220nMAssay Description:Inhibition of Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair

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Date in BDB:
8/6/2020
Entry Details Article
PubMed PDB

3D Structure (crystal)

Carbonyl reductase [NADPH] 1(Human)
UniversitäT TüBingen

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
1/11/2010
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Enoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
4/17/2006
Entry Details Article
PubMed PDB

3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
4/17/2006
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

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Date in BDB:
4/17/2006
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3D Structure (crystal)

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
Stony Brook University

BDBM8726(CHEMBL849 | TCL | 5-chloro-2-(2,4-dichlorophenoxy)...)

IC50: 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

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Date in BDB:
12/10/2016
Entry Details Article
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3D Structure (crystal)

Displayed 1 to 50 (of 74 total ) | Next | Last >>

Filter my 74 hits

Targets 15▿
- Enoyl-acyl-carrier protein reductase 23
- Enoyl-[acyl-carrier-protein] reductase [NADH] 18
- Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI 8
- Enoyl-[acyl-carrier-protein] reductase [NADH] FabI 7
- Enoyl-acyl carrier reductase ENR 3
- Trans-2-enoyl-ACP reductase II 3
- Enoyl-ACP reductase 2
- Transthyretin 2
- Carbonyl reductase [NADPH] 1 2
- Replicase polyprotein 1ab 1
- Endoplasmic reticulum chaperone BiP 1
- 3-oxoacyl-[acyl-carrier-protein] synthase 3 1
- NAD(+) hydrolase SARM1 1
- Enoyl-acyl carrier reductase 1
- DNA gyrase A/A/B/B tetramer 1
- ...
Publications 43▿
- J Med Chem 50: 765-75 (2007) 15
- J Med Chem 46: 1627-35 (2003) 3
- Eur J Med Chem 146: 318-343 (2018) 3
- Eur J Med Chem 208: (2020) 3
- Bioorg Med Chem 27: 1509-1516 (2019) 3
- Eur J Med Chem 44: 3009-19 (2009) 2
- J Med Chem 50: 2665-75 (2007) 2
- ACS Chem Biol 1: 43-53 (2006) 2
- Bioorg Med Chem 15: 7325-36 (2007) 2
- ACS Chem Biol 4: 221-31 (2009) 2
- J Med Chem 50: 5589-99 (2007) 2
- Bioorg Med Chem Lett 11: 2241-4 (2001) 2
- Bioorg Med Chem 17: 530-6 (2009) 2
- Bioorg Med Chem Lett 11: 2061-5 (2001) 2
- J Med Chem 55: 9914-28 (2012) 1
- Bioorg Med Chem Lett 28: 2084-2090 (2018) 1
- J Nat Prod 76: 1064-70 (2013) 1
- ACS Med Chem Lett 5: 1005-9 (2014) 1
- J Nat Prod 74: 1370-8 (2011) 1
- Bioorg Med Chem Lett 23: 3551-5 (2013) 1
- J Med Chem 45: 3246-56 (2002) 1
- J Med Chem 64: 16922-16955 (2021) 1
- Eur J Med Chem 150: 525-545 (2018) 1
- J Med Chem 56: 8533-42 (2013) 1
- J Med Chem 50: 4710-20 (2007) 1
- Bioorg Med Chem Lett 16: 2163-9 (2006) 1
- J Nat Prod 65: 1037-8 (2002) 1
- Biochemistry 56: 1865-1878 (2017) 1
- Bioorg Med Chem Lett 22: 610-2 (2011) 1
- Biochemistry 52: 9155-66 (2013) 1
- J Med Chem 56: 5275-87 (2014) 1
- Bioorg Med Chem Lett 18: 3565-9 (2008) 1
- Bioorg Med Chem Lett 15: 5247-52 (2005) 1
- Bioorg Med Chem Lett 25: 4481-6 (2015) 1
- Bioorg Med Chem Lett 23: 2035-43 (2013) 1
- Bioorg Med Chem Lett 18: 3029-33 (2008) 1
- Antimicrob Agents Chemother 51: 2552-8 (2007) 1
- Bioorg Med Chem Lett 29: 1689-1693 (2019) 1
- US Patent US20230414581 (2023) 1
- Chem Biol Drug Des 81: 715-29 (2013) 1
- RSC Med Chem 12: 120-128 (2021) 1
- J Biol Chem 282: 25436-44 (2007) 1
- Biochemistry 52: 4217-28 (2013) 1
Institutions 32▿
- National Institute of Immunology 15
- Glaxosmithkline 8
- Stony Brook University 5
- Institute of Science 3
- National Institute of Pharmaceutical Education and Research (NIPER) 3
- Meiji Seika Kaisha 3
- Jacobus Pharmaceutical 3
- Cnrs 3
- Nanjing University 3
- Suny Stony Brook 2
- International Centre For Science and High Technology 2
- UniversitäT TüBingen 2
- University of Illinois At Chicago 2
- Institute of Sciences 2
- West China Hospital 1
- University of London 1
- Institute of Molecular and Cell Biology 1
- University of Arizona 1
- The Catholic University of Korea 1
- University of Yaounde 1
- University of Leeds 1
- Naval Research Laboratories 1
- Artivila Biopharma 1
- Astrazeneca 1
- Mutabilis 1
- Universidade De Lisboa 1
- Michigan State University 1
- Johns Hopkins Bloomberg School of Public Health 1
- University of Karachi 1
- Astrazeneca India 1
- Bombay College of Pharmacy 1
- Instituto De Qu£Mica Rosario 1
Affinity: 0.0019 to 1.0E+6 nM▿
- Ki 30
- IC50 43
- Kd 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1