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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with Target = 'Enoyl-ACP Reductase (FabK)'   
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
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50219763
PNG
(1-((4-(4-bromophenyl)-1H-imidazol-2-yl)methyl)-3-(...)
Show SMILES Brc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1
Show InChI InChI=1S/C19H15BrN6OS2/c20-13-6-4-12(5-7-13)14-9-22-15(25-14)10-23-18(27)26-19-24-11-17(29-19)28-16-3-1-2-8-21-16/h1-9,11H,10H2,(H,22,25)(H2,23,24,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50219763
PNG
(1-((4-(4-bromophenyl)-1H-imidazol-2-yl)methyl)-3-(...)
Show SMILES Brc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1
Show InChI InChI=1S/C19H15BrN6OS2/c20-13-6-4-12(5-7-13)14-9-22-15(25-14)10-23-18(27)26-19-24-11-17(29-19)28-16-3-1-2-8-21-16/h1-9,11H,10H2,(H,22,25)(H2,23,24,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223360
PNG
(1-((5-(3,4-dichlorophenyl)-1H-imidazol-2-yl)methyl...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1
Show InChI InChI=1S/C19H14Cl2N6OS2/c20-12-5-4-11(7-13(12)21)14-8-23-15(26-14)9-24-18(28)27-19-25-10-17(30-19)29-16-3-1-2-6-22-16/h1-8,10H,9H2,(H,23,26)(H2,24,25,27,28)
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n/an/a 3.70n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371156
PNG
(CHEMBL390211)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2nc3ccc(cc3s2)S(C)(=O)=O)n1
Show InChI InChI=1S/C34H30Cl2N6O4S2/c1-20-24(17-25-26(35)4-3-5-27(25)36)30(43)13-15-42(20)14-12-21-6-8-22(9-7-21)29-18-37-32(39-29)19-38-33(44)41-34-40-28-11-10-23(48(2,45)46)16-31(28)47-34/h3-11,13,15-16,18H,12,14,17,19H2,1-2H3,(H,37,39)(H2,38,40,41,44)
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n/an/a 4.5n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50219766
PNG
(1-((4-(3-bromophenyl)-1H-imidazol-2-yl)methyl)-3-(...)
Show SMILES Brc1cccc(c1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1
Show InChI InChI=1S/C19H15BrN6OS2/c20-13-5-3-4-12(8-13)14-9-22-15(25-14)10-23-18(27)26-19-24-11-17(29-19)28-16-6-1-2-7-21-16/h1-9,11H,10H2,(H,22,25)(H2,23,24,26,27)
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n/an/a 5.30n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50219766
PNG
(1-((4-(3-bromophenyl)-1H-imidazol-2-yl)methyl)-3-(...)
Show SMILES Brc1cccc(c1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1
Show InChI InChI=1S/C19H15BrN6OS2/c20-13-5-3-4-12(8-13)14-9-22-15(25-14)10-23-18(27)26-19-24-11-17(29-19)28-16-6-1-2-7-21-16/h1-9,11H,10H2,(H,22,25)(H2,23,24,26,27)
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n/an/a 5.30n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371158
PNG
(CHEMBL175157)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(s2)S(C)(=O)=O)n1
Show InChI InChI=1S/C30H28Cl2N6O4S2/c1-18-21(14-22-23(31)4-3-5-24(22)32)26(39)11-13-38(18)12-10-19-6-8-20(9-7-19)25-15-33-27(36-25)16-34-29(40)37-30-35-17-28(43-30)44(2,41)42/h3-9,11,13,15,17H,10,12,14,16H2,1-2H3,(H,33,36)(H2,34,35,37,40)
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n/an/a 9.40n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371150
PNG
(CHEMBL244962)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1
Show InChI InChI=1S/C34H29Cl2N7O2S2/c1-21-24(17-25-26(35)5-4-6-27(25)36)29(44)13-16-43(21)15-12-22-8-10-23(11-9-22)28-18-38-30(41-28)19-39-33(45)42-34-40-20-32(47-34)46-31-7-2-3-14-37-31/h2-11,13-14,16,18,20H,12,15,17,19H2,1H3,(H,38,41)(H2,39,40,42,45)
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n/an/a 16n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371149
PNG
(CHEMBL390895)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1
Show InChI InChI=1S/C29H25BrCl2N6O2S/c1-17-20(13-21-22(31)3-2-4-23(21)32)25(39)10-12-38(17)11-9-18-5-7-19(8-6-18)24-14-33-27(36-24)16-34-28(40)37-29-35-15-26(30)41-29/h2-8,10,12,14-15H,9,11,13,16H2,1H3,(H,33,36)(H2,34,35,37,40)
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n/an/a 29n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371154
PNG
(CHEMBL242241)
Show SMILES [O-]C(=O)COc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1
Show InChI InChI=1S/C21H18N6O4S2/c28-18(29)12-31-14-6-4-13(5-7-14)15-9-23-16(26-15)10-24-20(30)27-21-25-11-19(33-21)32-17-3-1-2-8-22-17/h1-9,11H,10,12H2,(H,23,26)(H,28,29)(H2,24,25,27,30)/p-1
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n/an/a 34n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223364
PNG
(1-((4-phenyl-1H-imidazol-2-yl)methyl)-3-(5-(phenyl...)
Show SMILES O=C(NCc1nc(c[nH]1)-c1ccccc1)Nc1ncc(Sc2ccccc2)s1
Show InChI InChI=1S/C20H17N5OS2/c26-19(22-12-17-21-11-16(24-17)14-7-3-1-4-8-14)25-20-23-13-18(28-20)27-15-9-5-2-6-10-15/h1-11,13H,12H2,(H,21,24)(H2,22,23,25,26)
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n/an/a 37n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223356
PNG
(4-(2-(3-((4-phenyl-1H-imidazol-2-yl)methyl)ureido)...)
Show SMILES NC(=O)c1ccc(Sc2cnc(NC(=O)NCc3nc(c[nH]3)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C21H18N6O2S2/c22-19(28)14-6-8-15(9-7-14)30-18-12-25-21(31-18)27-20(29)24-11-17-23-10-16(26-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,22,28)(H,23,26)(H2,24,25,27,29)
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n/an/a 37n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50219767
PNG
(1-((4-phenyl-1H-imidazol-2-yl)methyl)-3-(5-(pyridi...)
Show SMILES O=C(NCc1nc(c[nH]1)-c1ccccc1)Nc1ncc(Sc2ccccn2)s1
Show InChI InChI=1S/C19H16N6OS2/c26-18(22-11-15-21-10-14(24-15)13-6-2-1-3-7-13)25-19-23-12-17(28-19)27-16-8-4-5-9-20-16/h1-10,12H,11H2,(H,21,24)(H2,22,23,25,26)
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n/an/a 42n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50219767
PNG
(1-((4-phenyl-1H-imidazol-2-yl)methyl)-3-(5-(pyridi...)
Show SMILES O=C(NCc1nc(c[nH]1)-c1ccccc1)Nc1ncc(Sc2ccccn2)s1
Show InChI InChI=1S/C19H16N6OS2/c26-18(22-11-15-21-10-14(24-15)13-6-2-1-3-7-13)25-19-23-12-17(28-19)27-16-8-4-5-9-20-16/h1-10,12H,11H2,(H,21,24)(H2,22,23,25,26)
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n/an/a 42n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216891
PNG
(1-((4-phenyl-1H-imidazol-2-yl)methyl)-3-(6-(methyl...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc(c[nH]3)-c3ccccc3)sc2c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)13-7-8-14-16(9-13)28-19(23-14)24-18(25)21-11-17-20-10-15(22-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,22)(H2,21,23,24,25)
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n/an/a 88n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223363
PNG
(4-(2-(3-((4-phenyl-1H-imidazol-2-yl)methyl)ureido)...)
Show SMILES OC(=O)c1ccc(Sc2cnc(NC(=O)NCc3nc(c[nH]3)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C21H17N5O3S2/c27-19(28)14-6-8-15(9-7-14)30-18-12-24-21(31-18)26-20(29)23-11-17-22-10-16(25-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,25)(H,27,28)(H2,23,24,26,29)
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n/an/a 98n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216891
PNG
(1-((4-phenyl-1H-imidazol-2-yl)methyl)-3-(6-(methyl...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc(c[nH]3)-c3ccccc3)sc2c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)13-7-8-14-16(9-13)28-19(23-14)24-18(25)21-11-17-20-10-15(22-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,22)(H2,21,23,24,25)
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n/an/a 140n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223357
PNG
(1-((4-phenyl-1H-imidazol-2-yl)methyl)-3-(5-phenylt...)
Show SMILES O=C(NCc1nc(c[nH]1)-c1ccccc1)Nc1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C20H17N5OS/c26-19(25-20-23-12-17(27-20)15-9-5-2-6-10-15)22-13-18-21-11-16(24-18)14-7-3-1-4-8-14/h1-12H,13H2,(H,21,24)(H2,22,23,25,26)
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n/an/a 380n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216895
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(6-(methyls...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C17H15N5O3S2/c1-27(24,25)10-6-7-13-14(8-10)26-17(21-13)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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n/an/a 740n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216895
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(6-(methyls...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C17H15N5O3S2/c1-27(24,25)10-6-7-13-14(8-10)26-17(21-13)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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n/an/a 760n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223362
PNG
(CHEMBL237447 | N-benzothiazol-2-yl-2-[1-(3-nitro-p...)
Show SMILES [O-][N+](=O)c1cccc([CH+][N-]OCC(=O)Nc2nc3ccccc3s2)c1
Show InChI InChI=1S/C16H12N4O4S/c21-15(19-16-18-13-6-1-2-7-14(13)25-16)10-24-17-9-11-4-3-5-12(8-11)20(22)23/h1-9H,10H2,(H,18,19,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216894
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(6-methoxyb...)
Show SMILES COc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-24-10-6-7-13-14(8-10)25-17(21-13)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223365
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(6-methylbe...)
Show SMILES Cc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C17H15N5OS/c1-10-6-7-13-14(8-10)24-17(21-13)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM8734
PNG
((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...)
Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223358
PNG
(1-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-3-((5-(...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3ccc(s3)-c3ccccn3)sc2c1
Show InChI InChI=1S/C19H16N4O3S3/c1-29(25,26)13-6-7-15-17(10-13)28-19(22-15)23-18(24)21-11-12-5-8-16(27-12)14-4-2-3-9-20-14/h2-10H,11H2,1H3,(H2,21,22,23,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223355
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(6-cyanoben...)
Show SMILES O=C(NCc1nc2ccccc2[nH]1)Nc1nc2ccc(cc2s1)C#N
Show InChI InChI=1S/C17H12N6OS/c18-8-10-5-6-13-14(7-10)25-17(22-13)23-16(24)19-9-15-20-11-3-1-2-4-12(11)21-15/h1-7H,9H2,(H,20,21)(H2,19,22,23,24)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371223
PNG
(CHEMBL246581)
Show SMILES O=C(NCc1nc2ccccc2[nH]1)Nc1nc2cc(ccc2s1)C#N
Show InChI InChI=1S/C17H12N6OS/c18-8-10-5-6-14-13(7-10)22-17(25-14)23-16(24)19-9-15-20-11-3-1-2-4-12(11)21-15/h1-7H,9H2,(H,20,21)(H2,19,22,23,24)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM8733
PNG
((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...)
Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
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n/an/a 5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223361
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(6-fluorobe...)
Show SMILES Fc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C16H12FN5OS/c17-9-5-6-12-13(7-9)24-16(21-12)22-15(23)18-8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H,19,20)(H2,18,21,22,23)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371157
PNG
(CHEMBL390218)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1
Show InChI InChI=1S/C30H27BrCl2N6O2S/c1-18-21(14-22-23(32)5-2-6-24(22)33)26(40)11-13-39(18)12-3-4-19-7-9-20(10-8-19)25-15-34-28(37-25)17-35-29(41)38-30-36-16-27(31)42-30/h2,5-11,13,15-16H,3-4,12,14,17H2,1H3,(H,34,37)(H2,35,36,38,41)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216886
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(benzo[d]th...)
Show SMILES O=C(NCc1nc2ccccc2[nH]1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C16H13N5OS/c22-15(21-16-20-12-7-3-4-8-13(12)23-16)17-9-14-18-10-5-1-2-6-11(10)19-14/h1-8H,9H2,(H,18,19)(H2,17,20,21,22)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216894
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(6-methoxyb...)
Show SMILES COc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-24-10-6-7-13-14(8-10)25-17(21-13)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371152
PNG
(CHEMBL242277)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1C\C=C\c1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1
Show InChI InChI=1S/C30H25BrCl2N6O2S/c1-18-21(14-22-23(32)5-2-6-24(22)33)26(40)11-13-39(18)12-3-4-19-7-9-20(10-8-19)25-15-34-28(37-25)17-35-29(41)38-30-36-16-27(31)42-30/h2-11,13,15-16H,12,14,17H2,1H3,(H,34,37)(H2,35,36,38,41)/b4-3+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371153
PNG
(CHEMBL242242)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1
Show InChI InChI=1S/C28H23BrCl2N6O2S/c1-16-19(11-20-21(30)3-2-4-22(20)31)24(38)9-10-37(16)15-17-5-7-18(8-6-17)23-12-32-26(35-23)14-33-27(39)36-28-34-13-25(29)40-28/h2-10,12-13H,11,14-15H2,1H3,(H,32,35)(H2,33,34,36,39)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216888
PNG
(1-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-3-(pyri...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3cccnc3)sc2c1
Show InChI InChI=1S/C15H14N4O3S2/c1-24(21,22)11-4-5-12-13(7-11)23-15(18-12)19-14(20)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19,20)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216899
PNG
(1-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-3-(thio...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3cccs3)sc2c1
Show InChI InChI=1S/C14H13N3O3S3/c1-23(19,20)10-4-5-11-12(7-10)22-14(16-11)17-13(18)15-8-9-3-2-6-21-9/h2-7H,8H2,1H3,(H2,15,16,17,18)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216888
PNG
(1-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-3-(pyri...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3cccnc3)sc2c1
Show InChI InChI=1S/C15H14N4O3S2/c1-24(21,22)11-4-5-12-13(7-11)23-15(18-12)19-14(20)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19,20)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216886
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(benzo[d]th...)
Show SMILES O=C(NCc1nc2ccccc2[nH]1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C16H13N5OS/c22-15(21-16-20-12-7-3-4-8-13(12)23-16)17-9-14-18-10-5-1-2-6-11(10)19-14/h1-8H,9H2,(H,18,19)(H2,17,20,21,22)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371148
PNG
(CHEMBL428739)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1\C=C\c1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1
Show InChI InChI=1S/C29H23BrCl2N6O2S/c1-17-20(13-21-22(31)3-2-4-23(21)32)25(39)10-12-38(17)11-9-18-5-7-19(8-6-18)24-14-33-27(36-24)16-34-28(40)37-29-35-15-26(30)41-29/h2-12,14-15H,13,16H2,1H3,(H,33,36)(H2,34,35,37,40)/b11-9+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216899
PNG
(1-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-3-(thio...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)NCc3cccs3)sc2c1
Show InChI InChI=1S/C14H13N3O3S3/c1-23(19,20)10-4-5-11-12(7-10)22-14(16-11)17-13(18)15-8-9-3-2-6-21-9/h2-7H,8H2,1H3,(H2,15,16,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM8735
PNG
((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...)
Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM8736
PNG
((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...)
Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 46: 1627-35 (2003)


Article DOI: 10.1021/jm0204035
BindingDB Entry DOI: 10.7270/Q2DB8018
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50223359
PNG
(2-(1H-benzo[d]imidazol-2-ylthio)-N-(benzo[d]thiazo...)
Show SMILES O=C(CSc1nc2ccccc2[nH]1)NCc1nc2ccccc2s1
Show InChI InChI=1S/C17H14N4OS2/c22-15(10-23-17-20-11-5-1-2-6-12(11)21-17)18-9-16-19-13-7-3-4-8-14(13)24-16/h1-8H,9-10H2,(H,18,22)(H,20,21)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371151
PNG
(CHEMBL242457)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc[nH]2)n1
Show InChI InChI=1S/C29H27Cl2N7O2/c1-18-21(15-22-23(30)3-2-4-24(22)31)26(39)10-14-38(18)13-9-19-5-7-20(8-6-19)25-16-34-27(36-25)17-35-29(40)37-28-32-11-12-33-28/h2-8,10-12,14,16H,9,13,15,17H2,1H3,(H,34,36)(H3,32,33,35,37,40)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50371155
PNG
(CHEMBL245237 | SB-611113)
Show SMILES Cn1cc(CNC(=O)\C=C\c2cnc3NC(=O)CCc3c2)c2ccccc12
Show InChI InChI=1S/C21H20N4O2/c1-25-13-16(17-4-2-3-5-18(17)25)12-22-19(26)8-6-14-10-15-7-9-20(27)24-21(15)23-11-14/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,22,26)(H,23,24,27)/b8-6+
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n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae FabK


J Med Chem 50: 4710-20 (2007)


Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216898
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(4-methoxyb...)
Show SMILES COc1cccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc12
Show InChI InChI=1S/C17H15N5O2S/c1-24-12-7-4-8-13-15(12)21-17(25-13)22-16(23)18-9-14-19-10-5-2-3-6-11(10)20-14/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216887
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(5-methoxyb...)
Show SMILES COc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-24-10-6-7-14-13(8-10)21-17(25-14)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216887
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(5-methoxyb...)
Show SMILES COc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-24-10-6-7-14-13(8-10)21-17(25-14)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
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Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
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