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Found 173 hits Enz. Inhib. hit(s) with Target = 'β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)' AND taxid = 83332   
Target
(Institution)
LigandTarget
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
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245828
PNG
(2-Tosylnaphthalene-1,4-diol | CHEMBL509952)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C17H14O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3
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n/an/a 0.610n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245923
PNG
(2-(naphthalen-2-ylsulfonyl)naphthalene-1,4-diol | ...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H14O4S/c21-18-12-19(20(22)17-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21-22H
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n/an/a 1.49n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245928
PNG
(2-tosylnaphthalene-1,4-dione | CHEMBL454282)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H12O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3
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n/an/a 1.99n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245877
PNG
(2-(phenylsulfonyl)naphthalene-1,4-diol | CHEMBL462...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H12O4S/c17-14-10-15(16(18)13-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H
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n/an/a 2.84n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245880
PNG
(2-(4-propylphenylsulfonyl)naphthalene-1,4-diol | C...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C19H18O4S/c1-2-5-13-8-10-14(11-9-13)24(22,23)18-12-17(20)15-6-3-4-7-16(15)19(18)21/h3-4,6-12,20-21H,2,5H2,1H3
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n/an/a 3.09n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245830
PNG
(3-(1,4-dihydroxynaphthalen-2-ylsulfonyl)propanoic ...)
Show SMILES OC(=O)CCS(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C13H12O6S/c14-10-7-11(20(18,19)6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7,14,17H,5-6H2,(H,15,16)
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n/an/a 3.53n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245829
PNG
(2-(methylsulfonyl)naphthalene-1,4-diol | CHEMBL491...)
Show SMILES CS(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C11H10O4S/c1-16(14,15)10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6,12-13H,1H3
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n/an/a 3.53n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245879
PNG
(2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol | C...)
Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClO4S/c17-10-5-7-11(8-6-10)22(20,21)15-9-14(18)12-3-1-2-4-13(12)16(15)19/h1-9,18-19H
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n/an/a 3.61n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245878
PNG
(CHEMBL512926 | N-(4-(1,4-dihydroxynaphthalen-2-yls...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O
Show InChI InChI=1S/C18H15NO5S/c1-11(20)19-12-6-8-13(9-7-12)25(23,24)17-10-16(21)14-4-2-3-5-15(14)18(17)22/h2-10,21-22H,1H3,(H,19,20)
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n/an/a 3.76n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245924
PNG
(2-tosylanthracene-1,4-diol | CHEMBL451059)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2cc3ccccc3cc2c1O
Show InChI InChI=1S/C21H16O4S/c1-13-6-8-16(9-7-13)26(24,25)20-12-19(22)17-10-14-4-2-3-5-15(14)11-18(17)21(20)23/h2-12,22-23H,1H3
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n/an/a 8.47n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245926
PNG
(CHEMBL462376 | N-(4-(2,5-dihydroxyphenylsulfonyl)p...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C14H13NO5S/c1-9(16)15-10-2-5-12(6-3-10)21(19,20)14-8-11(17)4-7-13(14)18/h2-8,17-18H,1H3,(H,15,16)
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n/an/a 31.4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245925
PNG
(2-tosylbenzene-1,4-diol | CHEMBL462375)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C13H12O4S/c1-9-2-5-11(6-3-9)18(16,17)13-8-10(14)4-7-12(13)15/h2-8,14-15H,1H3
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n/an/a 34.4n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245831
PNG
(2-(p-tolylthio)naphthalene-1,4-dione | CHEMBL50155...)
Show SMILES Cc1ccc(SC2=CC(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H12O2S/c1-11-6-8-12(9-7-11)20-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3
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n/an/a 112n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50245927
PNG
(2-tosylnaphthalene | CHEMBL462553)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
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n/an/a 138n/an/an/an/an/an/a



Portland State University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH


Bioorg Med Chem Lett 18: 6402-5 (2008)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50220630
PNG
(5-(4-methoxycarbonyl-biphenyl-4-ylmethyl)-4-hydrox...)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(CC2(C)SC(=O)C(C)C2=O)cc1
Show InChI InChI=1S/C21H20O4S/c1-13-18(22)21(2,26-20(13)24)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19(23)25-3/h4-11,13H,12H2,1-3H3
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n/an/a 3.00E+3n/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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233092
PNG
(mtFabH inhibitor, 39)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1
Show InChI InChI=1/C21H20O4S/c1-13-18(22)21(2,26-20(13)24)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19(23)25-3/h4-11,22H,12H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50241313
PNG
((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...)
Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O
Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1
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n/an/a 4.00E+3n/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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233091
PNG
(mtFabH inhibitor, 38)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)SC1=O
Show InChI InChI=1/C20H19NO3S/c1-12-17(22)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(21)23/h3-10,22H,11H2,1-2H3,(H2,21,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233056
PNG
(mtFabH inhibitor, 3)
Show SMILES CC(=O)c1ccc(cc1)C#CC1(C)SC(=O)C(C)=C1O
Show InChI InChI=1/C16H14O3S/c1-10-14(18)16(3,20-15(10)19)9-8-12-4-6-13(7-5-12)11(2)17/h4-7,18H,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50220624
PNG
(4'-(3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C1=O
Show InChI InChI=1S/C20H19NO3S/c1-12-17(22)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(21)23/h3-10,12H,11H2,1-2H3,(H2,21,23)
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n/an/a 4.00E+3n/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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233057
PNG
(mtFabH inhibitor, 4)
Show SMILES CC(=O)c1ccc(cc1O)C#CC1(C)SC(=O)C(C)=C1O
Show InChI InChI=1/C16H14O4S/c1-9-14(19)16(3,21-15(9)20)7-6-11-4-5-12(10(2)17)13(18)8-11/h4-5,8,18-19H,1-3H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233090
PNG
(mtFabH inhibitor, 37)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(O)=O)SC1=O
Show InChI InChI=1/C20H18O4S/c1-12-17(21)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)23/h3-10,21H,11H2,1-2H3,(H,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50220629
PNG
(4'-(3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(O)=O)C1=O
Show InChI InChI=1S/C20H18O4S/c1-12-17(21)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)23/h3-10,12H,11H2,1-2H3,(H,22,23)
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n/an/a 7.00E+3n/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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233076
PNG
(mtFabH inhibitor, 7)
Show SMILES CC1=C(O)C(C)(SC1=O)C#CCc1ccc(cc1)C#N
Show InChI InChI=1/C16H13NO2S/c1-11-14(18)16(2,20-15(11)19)9-3-4-12-5-7-13(10-17)8-6-12/h5-8,18H,4H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50220625
PNG
(4-hydroxy-3,5-dimethyl-5-(4-phenoxy-benzyl)-5H-thi...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(Oc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
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n/an/a 1.50E+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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233070
PNG
(mtFabH inhibitor, 24)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(COCc3ccccc3)cc2)SC1=O
Show InChI InChI=1/C27H26O3S/c1-19-25(28)27(2,31-26(19)29)16-20-8-12-23(13-9-20)24-14-10-22(11-15-24)18-30-17-21-6-4-3-5-7-21/h3-15,28H,16-18H2,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134362
PNG
(5-(4'-Benzyloxymethyl-biphenyl-4-ylmethyl)-4-hydro...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(COCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C27H26O3S/c1-19-25(28)27(2,31-26(19)29)16-20-8-12-23(13-9-20)24-14-10-22(11-15-24)18-30-17-21-6-4-3-5-7-21/h3-15,19H,16-18H2,1-2H3
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n/an/a 1.70E+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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233069
PNG
(mtFabH inhibitor, 23)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(CO)cc2)SC1=O
Show InChI InChI=1/C20H20O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,21-22H,11-12H2,1-2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134348
PNG
(4-Hydroxy-5-(4'-hydroxymethyl-biphenyl-4-ylmethyl)...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(CO)cc2)C1=O
Show InChI InChI=1S/C20H20O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,13,21H,11-12H2,1-2H3
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n/an/a 1.90E+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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134356
PNG
(5-(4'-tert-Butyl-biphenyl-4-ylmethyl)-4-hydroxy-3,...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)(C)C)C1=O
Show InChI InChI=1S/C23H26O2S/c1-15-20(24)23(5,26-21(15)25)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22(2,3)4/h6-13,15H,14H2,1-5H3
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n/an/a 2.50E+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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233067
PNG
(mtFabH inhibitor, 21)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)(C)C)SC1=O
Show InChI InChI=1/C23H26O2S/c1-15-20(24)23(5,26-21(15)25)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22(2,3)4/h6-13,24H,14H2,1-5H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180128
PNG
(5-((E)-buta-1,3-dienyl)-3,5-dimethyl-4-hydroxy-5H-...)
Show SMILES CC1C(=O)SC(C)(\C=C\C=C)C1=O
Show InChI InChI=1S/C10H12O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4-7H,1H2,2-3H3/b6-5+
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n/an/a 2.50E+4n/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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233068
PNG
(mtFabH inhibitor, 22)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)SC1=O
Show InChI InChI=1/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12,22H,11H2,1-2H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134352
PNG
(4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O
Show InChI InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12-13H,11H2,1-2H3
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n/an/a 2.90E+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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233075
PNG
(mtFabH inhibitor, 6)
Show SMILES CC1=C(O)C(C)(SC1=O)C#CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C15H13NO4S/c1-10-13(17)15(2,21-14(10)18)9-3-4-11-5-7-12(8-6-11)16(19)20/h5-8,17H,4H2,1-2H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233060
PNG
(mtFabH inhibitor, 11)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)C(C)(C)C)SC1=O
Show InChI InChI=1/C17H22O2S/c1-11-14(18)17(5,20-15(11)19)10-12-6-8-13(9-7-12)16(2,3)4/h6-9,18H,10H2,1-5H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134355
PNG
(5-(4-tert-Butyl-benzyl)-4-hydroxy-3,5-dimethyl-5H-...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)C(C)(C)C)C1=O
Show InChI InChI=1S/C17H22O2S/c1-11-14(18)17(5,20-15(11)19)10-12-6-8-13(9-7-12)16(2,3)4/h6-9,11H,10H2,1-5H3
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n/an/a 4.30E+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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233058
PNG
(mtFabH inhibitor, 8)
Show SMILES CC1=C(O)C(C)(SC1=O)C#Cc1ccccc1C#N
Show InChI InChI=1/C15H11NO2S/c1-10-13(17)15(2,19-14(10)18)8-7-11-5-3-4-6-12(11)9-16/h3-6,17H,1-2H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180135
PNG
((R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpent...)
Show SMILES C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)C1=O
Show InChI InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,9H,1-4H3/b6-5+,8-7+/t9?,12-/m1/s1
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n/an/a 5.00E+4n/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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180141
PNG
(3,5-dimethyl-5-dodecyl-4-hydroxy-5H-thiophen-2-one...)
Show SMILES CCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O
Show InChI InChI=1S/C18H32O2S/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(19)15(2)17(20)21-18/h15H,4-14H2,1-3H3
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n/an/a 5.00E+4n/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)

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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233064
PNG
(mtFabH inhibitor, 17)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccccc2)SC1=O
Show InChI InChI=1/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/h3-11,20H,12H2,1-2H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233079
PNG
(mtFabH inhibitor, 14)
Show SMILES CC1=C(O)C(C)(Cc2cccc(Oc3ccccc3)c2)SC1=O
Show InChI InChI=1/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-7-6-10-16(11-14)22-15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50134351
PNG
(4-Hydroxy-3,5-dimethyl-5-(3-phenoxy-benzyl)-5H-thi...)
Show SMILES CC1C(=O)SC(C)(Cc2cccc(Oc3ccccc3)c2)C1=O
Show InChI InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-7-6-10-16(11-14)22-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
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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)

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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233066
PNG
(mtFabH inhibitor, 20)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C)cc2)SC1=O
Show InChI InChI=1/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/h4-11,21H,12H2,1-3H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50220627
PNG
(5-(4'-acetyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)=O)C1=O
Show InChI InChI=1S/C21H20O3S/c1-13-19(23)21(3,25-20(13)24)12-15-4-6-17(7-5-15)18-10-8-16(9-11-18)14(2)22/h4-11,13H,12H2,1-3H3
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n/an/a 5.40E+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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180122
PNG
(3,5-dimethyl-4-hydroxy-5-(1-methylundecyl)-5H-thio...)
Show SMILES CCCCCCCCCCC(C)C1(C)SC(=O)C(C)C1=O
Show InChI InChI=1S/C18H32O2S/c1-5-6-7-8-9-10-11-12-13-14(2)18(4)16(19)15(3)17(20)21-18/h14-15H,5-13H2,1-4H3
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n/an/a 6.50E+4n/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)

More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM233087
PNG
(mtFabH inhibitor, 34)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)-c2ccccc2)SC1=O
Show InChI InChI=1/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/h3-15,26H,16H2,1-2H3
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n/an/a 6.80E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)

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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PubMed
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)

More data for this
Ligand-Target Pair
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