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Compile Data Set for Download or QSAR

Found 311 hits of ic50 data for polymerid = 4804,4805,9986   
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
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
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)


Article DOI: 10.1016/j.bmcl.2008.10.097
BindingDB Entry DOI: 10.7270/Q2542PGV
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(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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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
Beta-ketoacyl-ACP synthase III (FabH)


(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
Beta-ketoacyl-ACP synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM68278
PNG
(Decyl-CoA disulfide 5)
Show SMILES CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C30H54N7O16P3S2/c1-4-5-6-7-8-9-10-11-15-57-58-16-14-32-21(38)12-13-33-28(41)25(40)30(2,3)52-56(47,48)53-55(45,46)49-17-20-24(51-54(42,43)44)23(39)29(50-20)37-19-36-22-26(31)34-18-35-27(22)37/h18-20,23-25,29,39-40H,4-17H2,1-3H3,(H,32,38)(H,33,41)(H,45,46)(H,47,48)(H2,31,34,35)(H2,42,43,44)
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n/an/a 1.20E+3n/an/an/an/a7.037



Portland State University



Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...


Chem Biol 14: 513-24 (2007)


Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(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
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349537
PNG
(CHEMBL1232305)
Show SMILES Nc1ccn([C@H]2CC[C@@H](COP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(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
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349326
PNG
(CHEMBL1807657)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c1-16(15-24-17(2)23-14-21(24)25(27)28)29-22(26)13-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3/b13-10+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349508
PNG
(CHEMBL1808653)
Show SMILES CCOC(=O)C(C=Nc1ccc(C)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H25NO3/c1-3-28-25(27)24(17-26-22-13-9-19(2)10-14-22)21-11-15-23(16-12-21)29-18-20-7-5-4-6-8-20/h4-17,24H,3,18H2,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3[H] after 25 mins by liquid scintillation


Bioorg Med Chem 19: 4454-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.048
BindingDB Entry DOI: 10.7270/Q21C1X7D
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)


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)
BDBM233092
PNG
(mtFabH inhibitor, 39)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)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/h4-11,22H,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)


Article DOI: 10.3109/14756360903049059
BindingDB Entry DOI: 10.7270/Q22R3QJT
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349507
PNG
(CHEMBL1808651 | CHEMBL1808652)
Show SMILES CCOC(=O)C(C=Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H22BrNO3/c1-2-28-24(27)23(16-26-21-12-10-20(25)11-13-21)19-8-14-22(15-9-19)29-17-18-6-4-3-5-7-18/h3-16,23H,2,17H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3[H] after 25 mins by liquid scintillation


Bioorg Med Chem 19: 4454-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.048
BindingDB Entry DOI: 10.7270/Q21C1X7D
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50299692
PNG
(2,4-dibromo-6-((2-(4-(3,4-dichlorophenyl)thiazol-2...)
Show SMILES Oc1c(Br)cc(Br)cc1CN=Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H9Br2Cl2N3OS/c17-10-3-9(15(24)11(18)5-10)6-21-23-16-22-14(7-25-16)8-1-2-12(19)13(20)4-8/h1-5,7,24H,6H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett 19: 6750-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.111
BindingDB Entry DOI: 10.7270/Q24B31CS
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=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/h3-10,22H,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)


Article DOI: 10.3109/14756360903049059
BindingDB Entry DOI: 10.7270/Q22R3QJT
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=1S/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)


Article DOI: 10.3109/14756360903049059
BindingDB Entry DOI: 10.7270/Q22R3QJT
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)


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)
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)


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)
BDBM50323063
PNG
(1-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihy...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(C)=O
Show InChI InChI=1S/C18H17FN2O2/c1-12(22)21-18(14-3-7-15(19)8-4-14)11-17(20-21)13-5-9-16(23-2)10-6-13/h3-10,18H,11H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett 20: 4657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.105
BindingDB Entry DOI: 10.7270/Q2W959DS
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349524
PNG
(CHEMBL1808849)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16BrClN2O2/c21-15-6-11-19(25)14(12-15)13-24(18-9-7-16(22)8-10-18)20(26)23-17-4-2-1-3-5-17/h1-12,25H,13H2,(H,23,26)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50031298
PNG
(CHEMBL3352863)
Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H19BrN6O3S/c1-15-24-13-21(29(30)31)28(15)10-11-32-17-8-6-16(7-9-17)12-25-27-22-26-20(14-33-22)18-4-2-3-5-19(18)23/h2-9,12-14H,10-11H2,1H3,(H,26,27)/b25-12+
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n/an/a 4.90E+3n/an/an/an/an/an/a



School of Life Science Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett (2014)


Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50031300
PNG
(CHEMBL3357052)
Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N6O3S/c1-16-23-14-21(28(29)30)27(16)11-12-31-19-9-7-17(8-10-19)13-24-26-22-25-20(15-32-22)18-5-3-2-4-6-18/h2-10,13-15H,11-12H2,1H3,(H,25,26)/b24-13+
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n/an/a 5.20E+3n/an/an/an/an/an/a



School of Life Science Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett (2014)


Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50445028
PNG
(CHEMBL3098259)
Show SMILES Oc1ccccc1C=Nn1c(n[nH]c1=S)-c1cnccn1
Show InChI InChI=1S/C13H10N6OS/c20-11-4-2-1-3-9(11)7-16-19-12(17-18-13(19)21)10-8-14-5-6-15-10/h1-8,20H,(H,18,21)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH overexpressed in Escherichia coli DH10B cells assessed as incorporation of [3H] in the product after 25 mins by l...


Bioorg Med Chem Lett 24: 90-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.079
BindingDB Entry DOI: 10.7270/Q2154JHH
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50031305
PNG
(CHEMBL3357053)
Show SMILES COc1ccc(cc1)-c1csc(N\N=C\c2ccc(OCCn3c(C)ncc3[N+]([O-])=O)cc2)n1
Show InChI InChI=1S/C23H22N6O4S/c1-16-24-14-22(29(30)31)28(16)11-12-33-20-7-3-17(4-8-20)13-25-27-23-26-21(15-34-23)18-5-9-19(32-2)10-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,26,27)/b25-13+
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n/an/a 6.10E+3n/an/an/an/an/an/a



School of Life Science Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett (2014)


Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50031288
PNG
(CHEMBL3357054)
Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccc(Br)cc2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H19BrN6O3S/c1-15-24-13-21(29(30)31)28(15)10-11-32-19-8-2-16(3-9-19)12-25-27-22-26-20(14-33-22)17-4-6-18(23)7-5-17/h2-9,12-14H,10-11H2,1H3,(H,26,27)/b25-12+
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n/an/a 6.20E+3n/an/an/an/an/an/a



School of Life Science Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett (2014)


Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50368267
PNG
(KANAMYCIN B | Kanamycin | Kantrex | Klebcil)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH overexpressed in Escherichia coli DH10B cells assessed as incorporation of [3H] in the product after 25 mins by l...


Bioorg Med Chem Lett 24: 90-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.079
BindingDB Entry DOI: 10.7270/Q2154JHH
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349522
PNG
(CHEMBL1808847)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H16BrFN2O2/c21-15-6-11-19(25)14(12-15)13-24(18-9-7-16(22)8-10-18)20(26)23-17-4-2-1-3-5-17/h1-12,25H,13H2,(H,23,26)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...


Bioorg Med Chem 19: 4413-20 (2011)


Article DOI: 10.1016/j.bmc.2011.06.049
BindingDB Entry DOI: 10.7270/Q2HD7W18
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349327
PNG
(CHEMBL1807658)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O5/c1-17(15-25-18(2)24-14-22(25)26(28)29)31-23(27)13-10-19-8-11-21(12-9-19)30-16-20-6-4-3-5-7-20/h3-14,17H,15-16H2,1-2H3/b13-10+
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n/an/a 6.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50299693
PNG
(4-bromo-2-((2-(4-(4-chlorophenyl)thiazol-2-yl)hydr...)
Show SMILES Oc1ccc(Br)cc1CN=Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11BrClN3OS/c17-12-3-6-15(22)11(7-12)8-19-21-16-20-14(9-23-16)10-1-4-13(18)5-2-10/h1-7,9,22H,8H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett 19: 6750-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.111
BindingDB Entry DOI: 10.7270/Q24B31CS
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50031282
PNG
(CHEBI:17630 | KANAMYCIN | Kanamycin)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



School of Life Science Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett (2014)


Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR
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=1S/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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PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.3109/14756360903049059
BindingDB Entry DOI: 10.7270/Q22R3QJT
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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Article
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
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=1S/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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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.3109/14756360903049059
BindingDB Entry DOI: 10.7270/Q22R3QJT
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=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/h3-10,21H,11H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.3109/14756360903049059
BindingDB Entry DOI: 10.7270/Q22R3QJT
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50031287
PNG
(CHEMBL3357055)
Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H19F3N6O3S/c1-15-27-13-21(32(33)34)31(15)10-11-35-19-8-2-16(3-9-19)12-28-30-22-29-20(14-36-22)17-4-6-18(7-5-17)23(24,25)26/h2-9,12-14H,10-11H2,1H3,(H,29,30)/b28-12+
PDB
MMDB

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UniChem

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Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



School of Life Science Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett (2014)


Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50323064
PNG
(1-(5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihy...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C18H17ClN2O2/c1-12(22)21-18(14-3-7-15(19)8-4-14)11-17(20-21)13-5-9-16(23-2)10-6-13/h3-10,18H,11H2,1-2H3
PDB
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Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett 20: 4657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.105
BindingDB Entry DOI: 10.7270/Q2W959DS
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349332
PNG
(CHEMBL1807926)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)7-6-13-4-3-5-14(17)8-13/h3-9,11H,10H2,1-2H3/b7-6+
PDB
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PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...


Bioorg Med Chem 19: 4513-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.021
BindingDB Entry DOI: 10.7270/Q2XK8FWX
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349511
PNG
(CHEMBL1808659)
Show SMILES CCOC(=O)C(C=Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H22FNO3/c1-2-28-24(27)23(16-26-21-12-10-20(25)11-13-21)19-8-14-22(15-9-19)29-17-18-6-4-3-5-7-18/h3-16,23H,2,17H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3[H] after 25 mins by liquid scintillation


Bioorg Med Chem 19: 4454-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.048
BindingDB Entry DOI: 10.7270/Q21C1X7D
More data for this
Ligand-Target Pair
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