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PubMed code 17189694

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201525
PNG
(1,1-dioxo-3-(4-phenoxy-benzyl)-1lambda6-thiazolidi...)
Show SMILES O=C1N(Cc2ccc(Oc3ccccc3)cc2)CCS1(=O)=O
Show InChI InChI=1S/C16H15NO4S/c18-16-17(10-11-22(16,19)20)12-13-6-8-15(9-7-13)21-14-4-2-1-3-5-14/h1-9H,10-12H2
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PubMed
n/an/a 900n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201521
PNG
(3-benzyl-1,1-dioxo-1lambda6-thiazolidin-2-one | CH...)
Show SMILES O=C1N(Cc2ccccc2)CCS1(=O)=O
Show InChI InChI=1S/C10H11NO3S/c12-10-11(6-7-15(10,13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201524
PNG
(1,1-dioxo-3-phenethyl-1lambda6-thiazolidin-2-one |...)
Show SMILES O=C1N(CCc2ccccc2)CCS1(=O)=O
Show InChI InChI=1S/C11H13NO3S/c13-11-12(8-9-16(11,14)15)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201531
PNG
(3-[4-(4-cyclopentyl-phenoxy)-benzyl]-1,1-dioxo-1la...)
Show SMILES O=C1N(Cc2ccc(Oc3ccc(cc3)C3CCCC3)cc2)CCS1(=O)=O
Show InChI InChI=1S/C21H23NO4S/c23-21-22(13-14-27(21,24)25)15-16-5-9-19(10-6-16)26-20-11-7-18(8-12-20)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201522
PNG
(3-(4-phenoxybenzyl)thiazolidin-2-one | CHEMBL23454...)
Show SMILES O=C1SCCN1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H15NO2S/c18-16-17(10-11-20-16)12-13-6-8-15(9-7-13)19-14-4-2-1-3-5-14/h1-9H,10-12H2
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n/an/a 1.09E+4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201532
PNG
(3-benzylthiazolidin-2-one | CHEMBL396081)
Show SMILES O=C1SCCN1Cc1ccccc1
Show InChI InChI=1S/C10H11NOS/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
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n/an/a 1.37E+4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201528
PNG
(3-(4-(4-cyclopentylphenoxy)benzyl)thiazolidin-2-on...)
Show SMILES O=C1SCCN1Cc1ccc(Oc2ccc(cc2)C2CCCC2)cc1
Show InChI InChI=1S/C21H23NO2S/c23-21-22(13-14-25-21)15-16-5-9-19(10-6-16)24-20-11-7-18(8-12-20)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2
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n/an/a 1.44E+4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201533
PNG
(3-(4-(4-cyclopentylphenoxy)benzyl)thiazolidine-2-t...)
Show SMILES S=C1SCCN1Cc1ccc(Oc2ccc(cc2)C2CCCC2)cc1
Show InChI InChI=1S/C21H23NOS2/c24-21-22(13-14-25-21)15-16-5-9-19(10-6-16)23-20-11-7-18(8-12-20)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2
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n/an/a 1.77E+4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201527
PNG
(3-(pyridin-3-ylmethyl)thiazolidin-2-one | CHEMBL39...)
Show SMILES O=C1SCCN1Cc1cccnc1
Show InChI InChI=1S/C9H10N2OS/c12-9-11(4-5-13-9)7-8-2-1-3-10-6-8/h1-3,6H,4-5,7H2
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n/an/a 2.07E+4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201530
PNG
(3-methylthiazolidine-2-thione | CHEMBL397404)
Show SMILES CN1CCSC1=S
Show InChI InChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201526
PNG
(3-methyl-1,1-dioxo-1lambda6-thiazolidin-2-one | CH...)
Show SMILES CN1CCS(=O)(=O)C1=O
Show InChI InChI=1S/C4H7NO3S/c1-5-2-3-9(7,8)4(5)6/h2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201529
PNG
(3-phenethylthiazolidine-2-thione | CHEMBL232274)
Show SMILES S=C1SCCN1CCc1ccccc1
Show InChI InChI=1S/C11H13NS2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201520
PNG
(3-(pyridin-3-ylmethyl)thiazolidine-2-thione | CHEM...)
Show SMILES S=C1SCCN1Cc1cccnc1
Show InChI InChI=1S/C9H10N2S2/c12-9-11(4-5-13-9)7-8-2-1-3-10-6-8/h1-3,6H,4-5,7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201534
PNG
(3-(4-phenoxybenzyl)thiazolidine-2-thione | CHEMBL2...)
Show SMILES S=C1SCCN1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H15NOS2/c19-16-17(10-11-20-16)12-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9H,10-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201519
PNG
(3-benzylthiazolidine-2-thione | CHEMBL394409)
Show SMILES S=C1SCCN1Cc1ccccc1
Show InChI InChI=1S/C10H11NS2/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201518
PNG
(1,1-dioxo-3-propyl-1lambda6-thiazolidin-2-one | CH...)
Show SMILES CCCN1CCS(=O)(=O)C1=O
Show InChI InChI=1S/C6H11NO3S/c1-2-3-7-4-5-11(9,10)6(7)8/h2-5H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Escherichia coli)		BDBM50201523
PNG
(3-propylthiazolidine-2-thione | CHEMBL232277)
Show SMILES CCCN1CCSC1=S
Show InChI InChI=1S/C6H11NS2/c1-2-3-7-4-5-9-6(7)8/h2-5H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH

Bioorg Med Chem Lett 17: 879-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.067
BindingDB Entry DOI: 10.7270/Q2CC10BP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%