Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 2705   

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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Streptococcus pyogenes)	BDBM23585 ((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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23587 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Streptococcus pyogenes)	BDBM23587 ((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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23585 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Streptococcus pyogenes)	BDBM23586 ((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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Streptococcus pyogenes)	BDBM23584 ((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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23584 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23586 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23595 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23594 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24b | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccnc1 Show InChI InChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23596 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24e | ...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H21NO4/c1-18-11-13-19(14-12-18)22-16-15-20(17-25(22)32-21-7-3-2-4-8-21)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23606 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24p | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)cc1F Show InChI InChI=1S/C26H17F2NO4/c27-17-11-13-19(22(28)15-17)20-12-10-16(14-24(20)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-21(23)26(31)32/h1-15H,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23599 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24h | ...) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C28H23NO5/c1-2-33-21-15-12-19(13-16-21)23-17-14-20(18-26(23)34-22-8-4-3-5-9-22)27(30)29-25-11-7-6-10-24(25)28(31)32/h3-18H,2H2,1H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23602 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24l | ...) Show SMILES Cc1cc(ccc1F)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H20FNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23605 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24o | ...) Show SMILES Cc1cc(ccc1Cl)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H20ClNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23592 ((3-Phenoxybenzoylamino)benzoic acid deriv., 23i | ...) Show SMILES CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
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 Structure (crystal)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23591 ((3-Phenoxybenzoylamino)benzoic acid deriv., 23h | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1 Show InChI InChI=1S/C25H24N2O4/c28-24(26-21-12-6-5-11-20(21)25(29)30)18-13-14-22(27-15-7-2-8-16-27)23(17-18)31-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23604 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24n | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C26H17F2NO4/c27-21-13-11-16(14-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23598 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24g | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C26H19NO5/c28-19-13-10-17(11-14-19)21-15-12-18(16-24(21)32-20-6-2-1-3-7-20)25(29)27-23-9-5-4-8-22(23)26(30)31/h1-16,28H,(H,27,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23612 (2-hydroxy-6-[(3-phenoxybenzene)amido]benzoic acid ...) Show SMILES OC(=O)c1c(O)cccc1NC(=O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C20H15NO5/c22-17-11-5-10-16(18(17)20(24)25)21-19(23)13-6-4-9-15(12-13)26-14-7-2-1-3-8-14/h1-12,22H,(H,21,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23601 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24k | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H18F3NO5/c28-27(29,30)36-20-10-6-7-17(15-20)21-14-13-18(16-24(21)35-19-8-2-1-3-9-19)25(32)31-23-12-5-4-11-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23603 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24m | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C26H17ClFNO4/c27-21-14-16(11-13-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23600 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24j | ...) Show SMILES CC(C)c1cccc(c1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C29H25NO4/c1-19(2)20-9-8-10-21(17-20)24-16-15-22(18-27(24)34-23-11-4-3-5-12-23)28(31)30-26-14-7-6-13-25(26)29(32)33/h3-19H,1-2H3,(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23581 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23590 ((3-Phenoxybenzoylamino)benzoic acid deriv., 23g | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCSCC2)c(Oc2ccccc2)c1 Show InChI InChI=1S/C24H22N2O4S/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-31-15-13-26)22(16-17)30-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)	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	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23572 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23570 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.0	22
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 Structure (crystal)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23578 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23597 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24f | ...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H19NO6/c29-25(28-23-9-5-4-8-22(23)27(32)33)19-14-15-21(17-10-12-18(13-11-17)26(30)31)24(16-19)34-20-6-2-1-3-7-20/h1-16H,(H,28,29)(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23576 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Haemophilus influenzae)	BDBM23587 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23579 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23589 ((3-Phenoxybenzoylamino)benzoic acid deriv., 23f | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)c(Oc2ccccc2)c1 Show InChI InChI=1S/C24H22N2O5/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-30-15-13-26)22(16-17)31-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23614 (2-benzoylamino benzoic acid deriv., 28h | 3-{3-[(2...) Show SMILES OC(=O)c1cccc(Oc2cccc(c2)C(=O)Nc2ccccc2C(O)=O)c1 Show InChI InChI=1S/C21H15NO6/c23-19(22-18-10-2-1-9-17(18)21(26)27)13-5-3-7-15(11-13)28-16-8-4-6-14(12-16)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23580 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Staphylococcus aureus)	BDBM23587 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23615 (2-benzoylamino benzoic acid deriv., 28i | 4-{3-[(2...) Show SMILES OC(=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C21H15NO6/c23-19(22-18-7-2-1-6-17(18)21(26)27)14-4-3-5-16(12-14)28-15-10-8-13(9-11-15)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23616 (2-benzoylamino benzoic acid deriv., 28j | 2-{[3-(4...) Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14FNO4/c21-14-8-10-15(11-9-14)26-16-5-3-4-13(12-16)19(23)22-18-7-2-1-6-17(18)20(24)25/h1-12H,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23611 (2-fluoro-6-[(3-phenoxybenzene)amido]benzoic acid |...) Show SMILES OC(=O)c1c(F)cccc1NC(=O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C20H14FNO4/c21-16-10-5-11-17(18(16)20(24)25)22-19(23)13-6-4-9-15(12-13)26-14-7-2-1-3-8-14/h1-12H,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23577 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23575 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23613 (2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1 Show InChI InChI=1S/C19H14N2O4/c22-18(21-17-7-2-1-6-16(17)19(23)24)13-4-3-5-15(12-13)25-14-8-10-20-11-9-14/h1-12H,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Staphylococcus aureus)	BDBM23584 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23607 (3-Phenoxybenzoylamino deriv., 28a | 3-[(3-phenoxyb...) Show SMILES OC(=O)c1sccc1NC(=O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H13NO4S/c20-17(19-15-9-10-24-16(15)18(21)22)12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23574 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	7.0	22
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 Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Staphylococcus aureus)	BDBM23586 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Haemophilus influenzae)	BDBM23586 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23593 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24a | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(-c2cn[nH]c2)c(Oc2ccccc2)c1 Show InChI InChI=1S/C23H17N3O4/c27-22(26-20-9-5-4-8-19(20)23(28)29)15-10-11-18(16-13-24-25-14-16)21(12-15)30-17-6-2-1-3-7-17/h1-14H,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Staphylococcus aureus)	BDBM23585 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	7.0	22
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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23583 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.0	22
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

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