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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'besra' and Initial = 'gs'   
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
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148588
PNG
(CHEMBL325304 | Heptyl-phosphonic acid monoethyl es...)
Show SMILES CCCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C9H21O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3-9H2,1-2H3,(H,10,11)
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Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148588
PNG
(CHEMBL325304 | Heptyl-phosphonic acid monoethyl es...)
Show SMILES CCCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C9H21O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3-9H2,1-2H3,(H,10,11)
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148590
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...)
Show SMILES CCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H26NO5P/c1-3-5-6-7-10-13-25(22,23-4-2)24-14-19-17(20)15-11-8-9-12-16(15)18(19)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148590
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...)
Show SMILES CCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H26NO5P/c1-3-5-6-7-10-13-25(22,23-4-2)24-14-19-17(20)15-11-8-9-12-16(15)18(19)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3
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PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148587
PNG
(CHEMBL326268 | Heptyl-phosphonic acid mono-[2-(1,3...)
Show SMILES CCCCCCCP(O)(=O)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H24NO5P/c1-2-3-4-5-8-13-24(21,22)23-12-11-18-16(19)14-9-6-7-10-15(14)17(18)20/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,21,22)
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PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50195746
PNG
(CHEMBL227546 | ethyl 3-phenoxybenzyl butylphosphon...)
Show SMILES CCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C19H25O4P/c1-3-5-15-24(20,21-4-2)22-16-17-11-9-10-14-19(17)23-18-12-7-6-8-13-18/h6-14H,3-5,15-16H2,1-2H3
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148586
PNG
(Butyl-phosphonic acid ethyl ester 3-phenoxy-benzyl...)
Show SMILES CCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H25O4P/c1-3-5-14-24(20,21-4-2)22-16-17-10-9-13-19(15-17)23-18-11-7-6-8-12-18/h6-13,15H,3-5,14,16H2,1-2H3
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PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
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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PubMed
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)


Article DOI: 10.1016/j.bmcl.2007.07.082
BindingDB Entry DOI: 10.7270/Q2QF8TPJ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148593
PNG
(CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
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PubMed
n/an/a 3.56E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148593
PNG
(CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
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Article
PubMed
n/an/a 3.56E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
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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PubMed
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)


Article DOI: 10.1016/j.bmcl.2007.07.082
BindingDB Entry DOI: 10.7270/Q2QF8TPJ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148585
PNG
(CHEMBL418868 | Hexyl-phosphonic acid mono-[2-(1,3-...)
Show SMILES CCCCCCP(O)(=O)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H22NO5P/c1-2-3-4-7-12-23(20,21)22-11-10-17-15(18)13-8-5-6-9-14(13)16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,20,21)
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PubMed
n/an/a 4.39E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
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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PubMed
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)


Article DOI: 10.1016/j.bmcl.2007.07.082
BindingDB Entry DOI: 10.7270/Q2QF8TPJ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148594
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...)
Show SMILES CCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H20NO5P/c1-3-5-10-22(19,20-4-2)21-11-16-14(17)12-8-6-7-9-13(12)15(16)18/h6-9H,3-5,10-11H2,1-2H3
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148594
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...)
Show SMILES CCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H20NO5P/c1-3-5-10-22(19,20-4-2)21-11-16-14(17)12-8-6-7-9-13(12)15(16)18/h6-9H,3-5,10-11H2,1-2H3
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50195743
PNG
(CHEMBL427453 | ethyl 3-phenoxybenzyl nonylphosphon...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C24H35O4P/c1-3-5-6-7-8-9-15-20-29(25,26-4-2)27-21-22-16-13-14-19-24(22)28-23-17-11-10-12-18-23/h10-14,16-19H,3-9,15,20-21H2,1-2H3
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PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148583
PNG
(CHEMBL325149 | Nonyl-phosphonic acid ethyl ester 3...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C24H35O4P/c1-3-5-6-7-8-9-13-19-29(25,26-4-2)27-21-22-15-14-18-24(20-22)28-23-16-11-10-12-17-23/h10-12,14-18,20H,3-9,13,19,21H2,1-2H3
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PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
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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PubMed
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)


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)
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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PubMed
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)


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)
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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PubMed
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)


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


(Mycobacterium tuberculosis)
BDBM50195748
PNG
(CHEMBL227405 | ethyl 3-phenoxybenzyl heptylphospho...)
Show SMILES CCCCCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C22H31O4P/c1-3-5-6-7-13-18-27(23,24-4-2)25-19-20-14-11-12-17-22(20)26-21-15-9-8-10-16-21/h8-12,14-17H,3-7,13,18-19H2,1-2H3
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PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148596
PNG
(CHEMBL278017 | Heptyl-phosphonic acid ethyl ester ...)
Show SMILES CCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C22H31O4P/c1-3-5-6-7-11-17-27(23,24-4-2)25-19-20-13-12-16-22(18-20)26-21-14-9-8-10-15-21/h8-10,12-16,18H,3-7,11,17,19H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
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)


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


(Mycobacterium tuberculosis)
BDBM50148582
PNG
(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethylet...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H32NO5P/c1-3-5-6-7-8-9-12-17-28(25,26-4-2)27-16-15-22-20(23)18-13-10-11-14-19(18)21(22)24/h10-11,13-14H,3-9,12,15-17H2,1-2H3
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n/an/a 2.57E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148582
PNG
(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethylet...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H32NO5P/c1-3-5-6-7-8-9-12-17-28(25,26-4-2)27-16-15-22-20(23)18-13-10-11-14-19(18)21(22)24/h10-11,13-14H,3-9,12,15-17H2,1-2H3
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n/an/a 2.57E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
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)


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


(Mycobacterium tuberculosis)
BDBM50148597
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyleth...)
Show SMILES CCCCCCCCCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H40NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-32(29,30-4-2)31-21-26-24(27)22-18-15-16-19-23(22)25(26)28/h15-16,18-19H,3-14,17,20-21H2,1-2H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148597
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyleth...)
Show SMILES CCCCCCCCCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H40NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-32(29,30-4-2)31-21-26-24(27)22-18-15-16-19-23(22)25(26)28/h15-16,18-19H,3-14,17,20-21H2,1-2H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148584
PNG
(CHEMBL118790 | Hexyl-phosphonic acid ethyl ester 3...)
Show SMILES CCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C21H29O4P/c1-3-5-6-10-16-26(22,23-4-2)24-18-19-12-11-15-21(17-19)25-20-13-8-7-9-14-20/h7-9,11-15,17H,3-6,10,16,18H2,1-2H3
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n/an/a 4.26E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50195749
PNG
(CHEMBL223946 | ethyl 3-phenoxybenzyl hexylphosphon...)
Show SMILES CCCCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C21H29O4P/c1-3-5-6-12-17-26(22,23-4-2)24-18-19-13-10-11-16-21(19)25-20-14-8-7-9-15-20/h7-11,13-16H,3-6,12,17-18H2,1-2H3
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n/an/a 4.26E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
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)


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


(Mycobacterium tuberculosis)
BDBM50148591
PNG
(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethyl e...)
Show SMILES CCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H22NO5P/c1-3-5-12-23(20,21-4-2)22-11-10-17-15(18)13-8-6-7-9-14(13)16(17)19/h6-9H,3-5,10-12H2,1-2H3
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n/an/a 5.07E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148591
PNG
(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethyl e...)
Show SMILES CCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H22NO5P/c1-3-5-12-23(20,21-4-2)22-11-10-17-15(18)13-8-6-7-9-14(13)16(17)19/h6-9H,3-5,10-12H2,1-2H3
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n/an/a 5.07E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
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)
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)


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)
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)


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)
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)
BDBM50134363
PNG
(4-Hydroxy-3,5-dimethyl-5-((Z)-2-methyl-buta-1,3-di...)
Show SMILES CC1C(=O)SC(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-
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n/an/a 7.49E+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)
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 7.50E+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)


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)
BDBM50220632
PNG
(4-hydroxy-3,5-dimethyl-5-[4-(5-methyl-thiophen-2-y...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C)s2)C1=O
Show InChI InChI=1S/C18H18O2S2/c1-11-4-9-15(21-11)14-7-5-13(6-8-14)10-18(3)16(19)12(2)17(20)22-18/h4-9,12H,10H2,1-3H3
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n/an/a 8.60E+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
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148592
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H30NO5P/c1-3-5-6-7-8-9-12-15-27(24,25-4-2)26-16-21-19(22)17-13-10-11-14-18(17)20(21)23/h10-11,13-14H,3-9,12,15-16H2,1-2H3
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n/an/a 8.71E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148592
PNG
((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...)
Show SMILES CCCCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H30NO5P/c1-3-5-6-7-8-9-12-15-27(24,25-4-2)26-16-21-19(22)17-13-10-11-14-18(17)20(21)23/h10-11,13-14H,3-9,12,15-16H2,1-2H3
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MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 8.71E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50195744
PNG
(CHEMBL227845 | ethyl 3,4,5-trimethoxybenzyl hexylp...)
Show SMILES CCCCCCP(=O)(OCC)OCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H31O6P/c1-6-8-9-10-11-25(19,23-7-2)24-14-15-12-16(20-3)18(22-5)17(13-15)21-4/h12-13H,6-11,14H2,1-5H3
PDB
MMDB

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Article
PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50220622
PNG
(5-(4'-fluoro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C19H17FO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,12H,11H2,1-2H3
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Article
PubMed
n/an/a 1.05E+5n/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
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50195747
PNG
(CHEMBL390336 | ethyl hydrogen4-(phthalimido)butylp...)
Show SMILES CCOP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H18NO5P/c1-2-20-21(18,19)10-6-5-9-15-13(16)11-7-3-4-8-12(11)14(15)17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,18,19)
PDB
MMDB

KEGG

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DrugBank
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PC sid
UniChem
Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
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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UniChem

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Article
PubMed
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)
BDBM50134349
PNG
(CHEMBL124117 | N-[4'-(3-Hydroxy-2,4-dimethyl-5-oxo...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cccc(NC(C)=O)c2)C1=O
Show InChI InChI=1S/C21H21NO3S/c1-13-19(24)21(3,26-20(13)25)12-15-7-9-16(10-8-15)17-5-4-6-18(11-17)22-14(2)23/h4-11,13H,12H2,1-3H3,(H,22,23)
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Article
PubMed
n/an/a 1.19E+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)
BDBM50220631
PNG
(5-(4'-chloro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C19H17ClO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,12H,11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.30E+5n/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)
BDBM50220626
PNG
(5-(3',5'-difluoro-biphenyl-4-ylmethyl)-4-hydroxy-3...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cc(F)cc(F)c2)C1=O
Show InChI InChI=1S/C19H16F2O2S/c1-11-17(22)19(2,24-18(11)23)10-12-3-5-13(6-4-12)14-7-15(20)9-16(21)8-14/h3-9,11H,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+5n/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
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