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Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with Target = 'Beta-ketoacyl-ACP synthase III (FabH)'   
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
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23570
PNG
(2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


(Enterococcus faecalis)
BDBM23573
PNG
(2-{[4-bromo-3-(diethylsulfamoyl)-5-methylbenzene]a...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(cc(C)c1Br)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C19H21BrN2O5S/c1-4-22(5-2)28(26,27)16-11-13(10-12(3)17(16)20)18(23)21-15-9-7-6-8-14(15)19(24)25/h6-11H,4-5H2,1-3H3,(H,21,23)(H,24,25)
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n/an/a 1.60E+5n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23574
PNG
(2-{[3-(diethylsulfamoyl)-4-methoxybenzene]amido}be...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1OC)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C19H22N2O6S/c1-4-21(5-2)28(25,26)17-12-13(10-11-16(17)27-3)18(22)20-15-9-7-6-8-14(15)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
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n/an/a 1.14E+4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23575
PNG
(2-{[3-(diethylsulfamoyl)-4-fluorobenzene]amido}ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H19FN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
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n/an/a 8.40E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23576
PNG
(2-{[3-(diethylsulfamoyl)-4-(piperidin-1-yl)benzene...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C23H29N3O5S/c1-3-26(4-2)32(30,31)21-16-17(12-13-20(21)25-14-8-5-9-15-25)22(27)24-19-11-7-6-10-18(19)23(28)29/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,27)(H,28,29)
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n/an/a 2.20E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23577
PNG
(2-{[3-(diethylsulfamoyl)-4-phenoxybenzene]amido}be...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H24N2O6S/c1-3-26(4-2)33(30,31)22-16-17(14-15-21(22)32-18-10-6-5-7-11-18)23(27)25-20-13-9-8-12-19(20)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 6.10E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23578
PNG
(2-{[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1OCC1CCCC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H30N2O6S/c1-3-26(4-2)33(30,31)22-15-18(13-14-21(22)32-16-17-9-5-6-10-17)23(27)25-20-12-8-7-11-19(20)24(28)29/h7-8,11-15,17H,3-6,9-10,16H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 2.10E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23579
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 15 | 2...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C20H15NO4/c22-19(21-18-12-5-4-11-17(18)20(23)24)14-7-6-10-16(13-14)25-15-8-2-1-3-9-15/h1-13H,(H,21,22)(H,23,24)
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n/an/a 2.70E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23580
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23a | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(F)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14FNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
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n/an/a 3.80E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23581
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23b | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
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n/an/a 1.10E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23582
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCNCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C24H23N3O4/c28-23(26-20-9-5-4-8-19(20)24(29)30)17-10-11-21(27-14-12-25-13-15-27)22(16-17)31-18-6-2-1-3-7-18/h1-11,16,25H,12-15H2,(H,26,28)(H,29,30)
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n/an/a 1.85E+5n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23583
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 23d | ...)
Show SMILES CN1CCN(CC1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C25H25N3O4/c1-27-13-15-28(16-14-27)22-12-11-18(17-23(22)32-19-7-3-2-4-8-19)24(29)26-21-10-6-5-9-20(21)25(30)31/h2-12,17H,13-16H2,1H3,(H,26,29)(H,30,31)
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n/an/a 2.50E+4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 56n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 28n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 62n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23587
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 33 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-13-7-12-21(24(22)26(30)31)27-25(29)18-14-15-20(17-8-3-1-4-9-17)23(16-18)32-19-10-5-2-6-11-19/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 50n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 34n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Streptococcus pyogenes)
BDBM23587
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 33 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-13-7-12-21(24(22)26(30)31)27-25(29)18-14-15-20(17-8-3-1-4-9-17)23(16-18)32-19-10-5-2-6-11-19/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Staphylococcus aureus)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a 1.00E+4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Staphylococcus aureus)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a 2.40E+4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Staphylococcus aureus)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 1.23E+4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Staphylococcus aureus)
BDBM23587
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 33 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-13-7-12-21(24(22)26(30)31)27-25(29)18-14-15-20(17-8-3-1-4-9-17)23(16-18)32-19-10-5-2-6-11-19/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 3.80E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Haemophilus influenzae)
BDBM23584
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
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n/an/a>1.00E+5n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Haemophilus influenzae)
BDBM23585
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)
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n/an/a>1.00E+5n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Haemophilus influenzae)
BDBM23586
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
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n/an/a 2.00E+4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
beta-Ketoacyl-ACP Synthase III (FabH)


(Haemophilus influenzae)
BDBM23587
PNG
((3-Phenoxybenzoylamino)benzoic acid deriv., 33 | 2...)
Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C26H19NO5/c28-22-13-7-12-21(24(22)26(30)31)27-25(29)18-14-15-20(17-8-3-1-4-9-17)23(16-18)32-19-10-5-2-6-11-19/h1-16,28H,(H,27,29)(H,30,31)
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n/an/a 2.40E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM68275
PNG
(Methyl-CoA disulfide 1)
Show SMILES CSSCCNC(=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/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-5-4-12(29)23-6-7-49-48-3)43-47(38,39)44-46(36,37)40-8-11-15(42-45(33,34)35)14(30)20(41-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)
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n/an/a 5.71E+4n/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)
BDBM68274
PNG
(Butyl-CoA disulfide 2)
Show SMILES CCCCSSCCNC(=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/C24H42N7O16P3S2/c1-4-5-9-51-52-10-8-26-15(32)6-7-27-22(35)19(34)24(2,3)46-50(41,42)47-49(39,40)43-11-14-18(45-48(36,37)38)17(33)23(44-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)
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n/an/a>3.00E+5n/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)
BDBM68276
PNG
(Sec-butyl-CoA disulfide 3)
Show SMILES CCC(C)SSCCNC(=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/C24H42N7O16P3S2/c1-5-13(2)52-51-9-8-26-15(32)6-7-27-22(35)19(34)24(3,4)46-50(41,42)47-49(39,40)43-10-14-18(45-48(36,37)38)17(33)23(44-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)
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n/an/a>3.00E+5n/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)
BDBM68277
PNG
(Octyl-CoA disulfide 4)
Show SMILES CCCCCCCCSSCCNC(=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/C28H50N7O16P3S2/c1-4-5-6-7-8-9-13-55-56-14-12-30-19(36)10-11-31-26(39)23(38)28(2,3)50-54(45,46)51-53(43,44)47-15-18-22(49-52(40,41)42)21(37)27(48-18)35-17-34-20-24(29)32-16-33-25(20)35/h16-18,21-23,27,37-38H,4-15H2,1-3H3,(H,30,36)(H,31,39)(H,43,44)(H,45,46)(H2,29,32,33)(H2,40,41,42)
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n/an/a>3.00E+5n/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)
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>3.00E+5n/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)


(Mycobacterium tuberculosis)
BDBM68275
PNG
(Methyl-CoA disulfide 1)
Show SMILES CSSCCNC(=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/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-5-4-12(29)23-6-7-49-48-3)43-47(38,39)44-46(36,37)40-8-11-15(42-45(33,34)35)14(30)20(41-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)
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n/an/a>3.00E+5n/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)


(Mycobacterium tuberculosis)
BDBM68274
PNG
(Butyl-CoA disulfide 2)
Show SMILES CCCCSSCCNC(=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/C24H42N7O16P3S2/c1-4-5-9-51-52-10-8-26-15(32)6-7-27-22(35)19(34)24(2,3)46-50(41,42)47-49(39,40)43-11-14-18(45-48(36,37)38)17(33)23(44-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)
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n/an/a>3.00E+5n/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)


(Mycobacterium tuberculosis)
BDBM68276
PNG
(Sec-butyl-CoA disulfide 3)
Show SMILES CCC(C)SSCCNC(=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/C24H42N7O16P3S2/c1-5-13(2)52-51-9-8-26-15(32)6-7-27-22(35)19(34)24(3,4)46-50(41,42)47-49(39,40)43-10-14-18(45-48(36,37)38)17(33)23(44-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)
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n/an/a>3.00E+5n/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)


(Mycobacterium tuberculosis)
BDBM68277
PNG
(Octyl-CoA disulfide 4)
Show SMILES CCCCCCCCSSCCNC(=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/C28H50N7O16P3S2/c1-4-5-6-7-8-9-13-55-56-14-12-30-19(36)10-11-31-26(39)23(38)28(2,3)50-54(45,46)51-53(43,44)47-15-18-22(49-52(40,41)42)21(37)27(48-18)35-17-34-20-24(29)32-16-33-25(20)35/h16-18,21-23,27,37-38H,4-15H2,1-3H3,(H,30,36)(H,31,39)(H,43,44)(H,45,46)(H2,29,32,33)(H2,40,41,42)
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n/an/a 3.01E+4n/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)


(Enterococcus faecalis)
BDBM23572
PNG
(2-{[3-(diethylsulfamoyl)-4-phenylbenzene]amido}ben...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1-c1ccccc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-3-26(4-2)32(30,31)22-16-18(14-15-19(22)17-10-6-5-7-11-17)23(27)25-21-13-9-8-12-20(21)24(28)29/h5-16H,3-4H2,1-2H3,(H,25,27)(H,28,29)
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PubMed
n/an/a 1.60E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)


Article DOI: 10.1021/jm049141s
BindingDB Entry DOI: 10.7270/Q22B8W9H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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PubMed
0.00000103n/an/an/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)
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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PubMed
0.00000156n/an/an/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)
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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PubMed
0.00000161n/an/an/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)
BDBM50349526
PNG
(CHEMBL1808851)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16Br2N2O2/c21-15-6-9-18(10-7-15)24(13-14-12-16(22)8-11-19(14)25)20(26)23-17-4-2-1-3-5-17/h1-12,25H,13H2,(H,23,26)
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PubMed
0.00000548n/an/an/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)
BDBM50349525
PNG
(CHEMBL1808850)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Br
Show InChI InChI=1S/C20H16Br2N2O2/c21-15-10-11-19(25)14(12-15)13-24(18-9-5-4-8-17(18)22)20(26)23-16-6-2-1-3-7-16/h1-12,25H,13H2,(H,23,26)
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PubMed
0.00000706n/an/an/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)
BDBM50349530
PNG
(CHEMBL1808855)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H15Br2FN2O2/c21-14-10-13(19(26)18(22)11-14)12-25(17-8-6-15(23)7-9-17)20(27)24-16-4-2-1-3-5-16/h1-11,26H,12H2,(H,24,27)
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PubMed
0.00000713n/an/an/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)
BDBM50349529
PNG
(CHEMBL1808854)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1F
Show InChI InChI=1S/C20H15Br2FN2O2/c21-14-10-13(19(26)16(22)11-14)12-25(18-9-5-4-8-17(18)23)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27)
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PubMed
0.00000800n/an/an/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)
BDBM50349531
PNG
(CHEMBL1808856)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)16(22)11-14)12-25(18-9-5-4-8-17(18)23)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27)
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0.00000843n/an/an/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)
BDBM50349532
PNG
(CHEMBL1808857)
Show SMILES Oc1c(Br)cc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)18(22)11-14)12-25(17-8-6-15(23)7-9-17)20(27)24-16-4-2-1-3-5-16/h1-11,26H,12H2,(H,24,27)
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0.00000911n/an/an/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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PubMed
0.0000100n/an/an/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)
BDBM50349523
PNG
(CHEMBL1808848)
Show SMILES Oc1ccc(Br)cc1CN(C(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C20H16BrClN2O2/c21-15-10-11-19(25)14(12-15)13-24(18-9-5-4-8-17(18)22)20(26)23-16-6-2-1-3-7-16/h1-12,25H,13H2,(H,23,26)
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PubMed
0.0000124n/an/an/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
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