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10 similar compounds to monomer 50180099

Compile data set for download or QSAR
Wt: 248.3
BDBM50134358
Wt: 324.4
BDBM50134360
Wt: 310.4
BDBM50134361
Wt: 310.4
BDBM50134347
Wt: 234.3
BDBM50134350
Wt: 302.3
BDBM50180126
Wt: 262.3
BDBM50180112
Wt: 248.3
BDBM50180117
Wt: 252.3
BDBM50180120
Wt: 386.5
BDBM50220634

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50134358,50134360,50134361,50134347,50134350,50180126,50180112,50180117,50180120,50220634   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134347
PNG
(5-Biphenyl-3-ylmethyl-4-hydroxy-3,5-dimethyl-5H-th...)
Show SMILES CC1C(=O)SC(C)(Cc2cccc(c2)-c2ccccc2)C1=O
Show InChI InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
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n/an/a 2.15E+5n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.


Bioorg Med Chem Lett 13: 3685-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.015
BindingDB Entry DOI: 10.7270/Q20864R5
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50220634
PNG
(4-hydroxy-3,5-dimethyl-5-[1,1';4',1'']terphenyl-4-...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C25H22O2S/c1-17-23(26)25(2,28-24(17)27)16-18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 17: 5643-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.082
BindingDB Entry DOI: 10.7270/Q2QF8TPJ
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134358
PNG
(3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a 1.12E+5n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.


Bioorg Med Chem Lett 13: 3685-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.015
BindingDB Entry DOI: 10.7270/Q20864R5
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134360
PNG
(4-Hydroxy-3,5-dimethyl-5-(4'-methyl-biphenyl-4-ylm...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C)cc2)C1=O
Show InChI InChI=1S/C20H20O2S/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-20(3)18(21)14(2)19(22)23-20/h4-11,14H,12H2,1-3H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.


Bioorg Med Chem Lett 13: 3685-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.015
BindingDB Entry DOI: 10.7270/Q20864R5
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134361
PNG
(5-Biphenyl-4-ylmethyl-4-hydroxy-3,5-dimethyl-5H-th...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.


Bioorg Med Chem Lett 13: 3685-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.015
BindingDB Entry DOI: 10.7270/Q20864R5
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134358
PNG
(3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134358
PNG
(3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180112
PNG
(3,5-dimethyl-5-(2,5-dimethylbenzyl)-4-hydroxy-5H-t...)
Show SMILES CC1C(=O)SC(C)(Cc2cc(C)ccc2C)C1=O
Show InChI InChI=1S/C15H18O2S/c1-9-5-6-10(2)12(7-9)8-15(4)13(16)11(3)14(17)18-15/h5-7,11H,8H2,1-4H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Mycobacterium tuberculosis)
BDBM50180112
PNG
(3,5-dimethyl-5-(2,5-dimethylbenzyl)-4-hydroxy-5H-t...)
Show SMILES CC1C(=O)SC(C)(Cc2cc(C)ccc2C)C1=O
Show InChI InChI=1S/C15H18O2S/c1-9-5-6-10(2)12(7-9)8-15(4)13(16)11(3)14(17)18-15/h5-7,11H,8H2,1-4H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180117
PNG
(3,5-dimethyl-4-hydroxy-5-(3-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2cccc(C)c2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-5-4-6-11(7-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180120
PNG
(3,5-dimethyl-5-(4-fluorobenzyl)-4-hydroxy-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C13H13FO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1


(Escherichia coli (strain K12))
BDBM50134358
PNG
(3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabB from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180120
PNG
(3,5-dimethyl-5-(4-fluorobenzyl)-4-hydroxy-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C13H13FO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180126
PNG
(3,5-dimethyl-4-hydroxy-5-(4-trifluoromethylbenzyl)...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1S/C14H13F3O2S/c1-8-11(18)13(2,20-12(8)19)7-9-3-5-10(6-4-9)14(15,16)17/h3-6,8H,7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Mycobacterium tuberculosis)
BDBM50134358
PNG
(3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1


(Escherichia coli (strain K12))
BDBM50180120
PNG
(3,5-dimethyl-5-(4-fluorobenzyl)-4-hydroxy-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C13H13FO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabB from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50180117
PNG
(3,5-dimethyl-4-hydroxy-5-(3-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2cccc(C)c2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-5-4-6-11(7-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1


(Escherichia coli (strain K12))
BDBM50180117
PNG
(3,5-dimethyl-4-hydroxy-5-(3-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2cccc(C)c2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-5-4-6-11(7-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabB from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50180120
PNG
(3,5-dimethyl-5-(4-fluorobenzyl)-4-hydroxy-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C13H13FO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1


(Escherichia coli (strain K12))
BDBM50180112
PNG
(3,5-dimethyl-5-(2,5-dimethylbenzyl)-4-hydroxy-5H-t...)
Show SMILES CC1C(=O)SC(C)(Cc2cc(C)ccc2C)C1=O
Show InChI InChI=1S/C15H18O2S/c1-9-5-6-10(2)12(7-9)8-15(4)13(16)11(3)14(17)18-15/h5-7,11H,8H2,1-4H3
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabB from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180112
PNG
(3,5-dimethyl-5-(2,5-dimethylbenzyl)-4-hydroxy-5H-t...)
Show SMILES CC1C(=O)SC(C)(Cc2cc(C)ccc2C)C1=O
Show InChI InChI=1S/C15H18O2S/c1-9-5-6-10(2)12(7-9)8-15(4)13(16)11(3)14(17)18-15/h5-7,11H,8H2,1-4H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50134358
PNG
(3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
PDB
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50180112
PNG
(3,5-dimethyl-5-(2,5-dimethylbenzyl)-4-hydroxy-5H-t...)
Show SMILES CC1C(=O)SC(C)(Cc2cc(C)ccc2C)C1=O
Show InChI InChI=1S/C15H18O2S/c1-9-5-6-10(2)12(7-9)8-15(4)13(16)11(3)14(17)18-15/h5-7,11H,8H2,1-4H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Escherichia coli ANSI


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180117
PNG
(3,5-dimethyl-4-hydroxy-5-(3-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2cccc(C)c2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-5-4-6-11(7-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Mycobacterium tuberculosis)
BDBM50180117
PNG
(3,5-dimethyl-4-hydroxy-5-(3-methylbenzyl)-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2cccc(C)c2)C1=O
Show InChI InChI=1S/C14H16O2S/c1-9-5-4-6-11(7-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2


(Mycobacterium tuberculosis)
BDBM50180120
PNG
(3,5-dimethyl-5-(4-fluorobenzyl)-4-hydroxy-5H-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C13H13FO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134350
PNG
(5-Benzyl-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one ...)
Show SMILES CC1C(=O)SC(C)(Cc2ccccc2)C1=O
Show InChI InChI=1S/C13H14O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.


Bioorg Med Chem Lett 13: 3685-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.015
BindingDB Entry DOI: 10.7270/Q20864R5
More data for this
Ligand-Target Pair