Compile Data Set for Download or QSAR

Found 10 hits of ph data with Target = 'Beta-ketoacyl-ACP synthase III (FabH)'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-ketoacyl-ACP synthase III (FabH) (Escherichia coli)	BDBM68275 (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)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.71E+4	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	37
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)	BDBM68278 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	7.0	37
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 (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)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	37
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