Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'escaich' and Initial = 's'   

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
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399411 (CHEMBL2178304 | PT405) Show SMILES CCc1cc(O)c(Oc2ccccc2F)cc1F Show InChI InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399407 (CHEMBL2178284 | MUT056399) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F Show InChI InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399400 (CHEMBL2178291) Show SMILES CCc1cc(O)c(Oc2cccnc2F)cc1F Show InChI InChI=1S/C13H11F2NO2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133668 (US8846711, 12 | US9051321, 12) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)OCc1cccs1 Show InChI InChI=1S/C19H19N3O3S/c23-17-5-4-14-8-13(9-20-19(14)21-17)3-6-18(24)22-10-15(11-22)25-12-16-2-1-7-26-16/h1-3,6-9,15H,4-5,10-12H2,(H,20,21,23)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133668 (US8846711, 12 | US9051321, 12) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)OCc1cccs1 Show InChI InChI=1S/C19H19N3O3S/c23-17-5-4-14-8-13(9-20-19(14)21-17)3-6-18(24)22-10-15(11-22)25-12-16-2-1-7-26-16/h1-3,6-9,15H,4-5,10-12H2,(H,20,21,23)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399404 (CHEMBL2178287 | US8623865, 1) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)cc1F Show InChI InChI=1S/C19H18F2N2O4/c1-2-11-8-15(24)17(9-13(11)20)27-16-4-3-12(7-14(16)21)19(26)23-6-5-22-18(25)10-23/h3-4,7-9,24H,2,5-6,10H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	6.5	n/a
Fab Pharma S.A.S. US Patent					Assay Description The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM...				US Patent US8623865 (2014) BindingDB Entry DOI: 10.7270/Q21R6P6R
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399404 (CHEMBL2178287 | US8623865, 1) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)cc1F Show InChI InChI=1S/C19H18F2N2O4/c1-2-11-8-15(24)17(9-13(11)20)27-16-4-3-12(7-14(16)21)19(26)23-6-5-22-18(25)10-23/h3-4,7-9,24H,2,5-6,10H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133671 (US8846711, 15 | US9051321, 15) Show SMILES CCCCCOC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C19H25N3O3/c1-2-3-4-9-25-16-12-22(13-16)18(24)8-5-14-10-15-6-7-17(23)21-19(15)20-11-14/h5,8,10-11,16H,2-4,6-7,9,12-13H2,1H3,(H,20,21,23)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133671 (US8846711, 15 | US9051321, 15) Show SMILES CCCCCOC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C19H25N3O3/c1-2-3-4-9-25-16-12-22(13-16)18(24)8-5-14-10-15-6-7-17(23)21-19(15)20-11-14/h5,8,10-11,16H,2-4,6-7,9,12-13H2,1H3,(H,20,21,23)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399405 (CHEMBL2178286 | US8623865, 2) Show SMILES CCc1ccc(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)c(O)c1 Show InChI InChI=1S/C19H19FN2O4/c1-2-12-3-5-17(15(23)9-12)26-16-6-4-13(10-14(16)20)19(25)22-8-7-21-18(24)11-22/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399405 (CHEMBL2178286 | US8623865, 2) Show SMILES CCc1ccc(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)c(O)c1 Show InChI InChI=1S/C19H19FN2O4/c1-2-12-3-5-17(15(23)9-12)26-16-6-4-13(10-14(16)20)19(25)22-8-7-21-18(24)11-22/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	6.5	n/a
Fab Pharma S.A.S. US Patent					Assay Description The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM...				US Patent US8623865 (2014) BindingDB Entry DOI: 10.7270/Q21R6P6R
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399410 (CHEMBL2178305) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C#N)cc1F Show InChI InChI=1S/C15H11F2NO2/c1-2-10-6-13(19)15(7-11(10)16)20-14-4-3-9(8-18)5-12(14)17/h3-7,19H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399412 (CHEMBL2178303 | PT411) Show SMILES CCc1cc(O)c(Oc2ccccc2)cc1F Show InChI InChI=1S/C14H13FO2/c1-2-10-8-13(16)14(9-12(10)15)17-11-6-4-3-5-7-11/h3-9,16H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133664 (US8846711, 8 | US9051321, 8) Show SMILES CCCC1CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C19H25N3O2/c1-2-3-14-8-10-22(11-9-14)18(24)7-4-15-12-16-5-6-17(23)21-19(16)20-13-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,20,21,23)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133664 (US8846711, 8 | US9051321, 8) Show SMILES CCCC1CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C19H25N3O2/c1-2-3-14-8-10-22(11-9-14)18(24)7-4-15-12-16-5-6-17(23)21-19(16)20-13-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,20,21,23)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399409 (CHEMBL2178282) Show SMILES CCc1ccc(Oc2ccc(cc2)C(=O)CCCO)c(O)c1 Show InChI InChI=1S/C18H20O4/c1-2-13-5-10-18(17(21)12-13)22-15-8-6-14(7-9-15)16(20)4-3-11-19/h5-10,12,19,21H,2-4,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133673 (US8846711, 17 | US9051321, 17) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)OCc1ccccc1 Show InChI InChI=1S/C21H21N3O3/c25-19-8-7-17-10-16(11-22-21(17)23-19)6-9-20(26)24-12-18(13-24)27-14-15-4-2-1-3-5-15/h1-6,9-11,18H,7-8,12-14H2,(H,22,23,25)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133673 (US8846711, 17 | US9051321, 17) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)OCc1ccccc1 Show InChI InChI=1S/C21H21N3O3/c25-19-8-7-17-10-16(11-22-21(17)23-19)6-9-20(26)24-12-18(13-24)27-14-15-4-2-1-3-5-15/h1-6,9-11,18H,7-8,12-14H2,(H,22,23,25)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399402 (CHEMBL2178289) Show SMILES CCc1cc(O)c(Oc2cccnc2N)cc1F Show InChI InChI=1S/C13H13FN2O2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133676 (US8846711, 20 | US9051321, 20) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)OCc1nccs1 Show InChI InChI=1S/C18H18N4O3S/c23-15-3-2-13-7-12(8-20-18(13)21-15)1-4-17(24)22-9-14(10-22)25-11-16-19-5-6-26-16/h1,4-8,14H,2-3,9-11H2,(H,20,21,23)/b4-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133676 (US8846711, 20 | US9051321, 20) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)OCc1nccs1 Show InChI InChI=1S/C18H18N4O3S/c23-15-3-2-13-7-12(8-20-18(13)21-15)1-4-17(24)22-9-14(10-22)25-11-16-19-5-6-26-16/h1,4-8,14H,2-3,9-11H2,(H,20,21,23)/b4-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8726 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133681 (US8846711, 25 | US8846711, 26 | US9051321, 25) Show SMILES COC(=O)C1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O Show InChI InChI=1S/C25H26FN3O5/c1-33-25(32)21-13-18-12-17(14-27-23(18)28-24(21)31)2-7-22(30)29-10-8-16(9-11-29)15-34-20-5-3-19(26)4-6-20/h2-7,12,14,16,21H,8-11,13,15H2,1H3,(H,27,28,31)/b7-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133681 (US8846711, 25 | US8846711, 26 | US9051321, 25) Show SMILES COC(=O)C1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O Show InChI InChI=1S/C25H26FN3O5/c1-33-25(32)21-13-18-12-17(14-27-23(18)28-24(21)31)2-7-22(30)29-10-8-16(9-11-29)15-34-20-5-3-19(26)4-6-20/h2-7,12,14,16,21H,8-11,13,15H2,1H3,(H,27,28,31)/b7-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM9913 (US8846711, 26 | US9051321, 27) Show SMILES NC(=O)C1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O Show InChI InChI=1S/C24H25FN4O4/c25-18-2-4-19(5-3-18)33-14-15-7-9-29(10-8-15)21(30)6-1-16-11-17-12-20(22(26)31)24(32)28-23(17)27-13-16/h1-6,11,13,15,20H,7-10,12,14H2,(H2,26,31)(H,27,28,32)/b6-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM9913 (US8846711, 26 | US9051321, 27) Show SMILES NC(=O)C1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O Show InChI InChI=1S/C24H25FN4O4/c25-18-2-4-19(5-3-18)33-14-15-7-9-29(10-8-15)21(30)6-1-16-11-17-12-20(22(26)31)24(32)28-23(17)27-13-16/h1-6,11,13,15,20H,7-10,12,14H2,(H2,26,31)(H,27,28,32)/b6-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133683 (US8846711, 28 | US9051321, 28) Show SMILES OCC1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O Show InChI InChI=1S/C24H26FN3O4/c25-20-2-4-21(5-3-20)32-15-16-7-9-28(10-8-16)22(30)6-1-17-11-18-12-19(14-29)24(31)27-23(18)26-13-17/h1-6,11,13,16,19,29H,7-10,12,14-15H2,(H,26,27,31)/b6-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133683 (US8846711, 28 | US9051321, 28) Show SMILES OCC1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O Show InChI InChI=1S/C24H26FN3O4/c25-20-2-4-21(5-3-20)32-15-16-7-9-28(10-8-16)22(30)6-1-17-11-18-12-19(14-29)24(31)27-23(18)26-13-17/h1-6,11,13,16,19,29H,7-10,12,14-15H2,(H,26,27,31)/b6-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399406 (CHEMBL2178285) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)NC)cc1F Show InChI InChI=1S/C16H15F2NO3/c1-3-9-7-13(20)15(8-11(9)17)22-14-5-4-10(6-12(14)18)16(21)19-2/h4-8,20H,3H2,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133666 (US8846711, 10 | US9051321, 10) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(C1)Oc1ccccc1 Show InChI InChI=1S/C21H21N3O3/c25-19-8-7-16-12-15(13-22-21(16)23-19)6-9-20(26)24-11-10-18(14-24)27-17-4-2-1-3-5-17/h1-6,9,12-13,18H,7-8,10-11,14H2,(H,22,23,25)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133666 (US8846711, 10 | US9051321, 10) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(C1)Oc1ccccc1 Show InChI InChI=1S/C21H21N3O3/c25-19-8-7-16-12-15(13-22-21(16)23-19)6-9-20(26)24-11-10-18(14-24)27-17-4-2-1-3-5-17/h1-6,9,12-13,18H,7-8,10-11,14H2,(H,22,23,25)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM162339 (US9051321, 11) Show SMILES Cc1nc(no1)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C17H17N5O3/c1-10-19-17(21-25-10)13-8-22(9-13)15(24)5-2-11-6-12-3-4-14(23)20-16(12)18-7-11/h2,5-7,13H,3-4,8-9H2,1H3,(H,18,20,23)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133667 (US8846711, 11) Show SMILES Cc1nc(no1)C1CC(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |(.96,.89,;.19,-.44,;.67,-1.91,;-.58,-2.81,;-1.83,-1.91,;-1.35,-.44,;-.58,-4.35,;.51,-5.44,;-.58,-6.53,;-1.67,-5.44,;-.58,-8.07,;-1.91,-8.84,;.75,-8.84,;2.09,-8.07,;3.42,-8.84,;3.42,-10.38,;4.75,-11.15,;6.09,-10.38,;7.42,-11.15,;8.76,-10.38,;10.09,-11.15,;8.76,-8.84,;7.42,-8.07,;6.09,-8.84,;4.75,-8.07,)| Show InChI InChI=1S/C18H18N4O3/c1-10-20-18(22-25-10)14-7-13(8-14)15(23)4-2-11-6-12-3-5-16(24)21-17(12)19-9-11/h2,4,6,9,13-14H,3,5,7-8H2,1H3,(H,19,21,24)/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133675 (US8846711, 19 | US9051321, 19) Show SMILES CC(=C)COC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C18H21N3O3/c1-12(2)11-24-15-9-21(10-15)17(23)6-3-13-7-14-4-5-16(22)20-18(14)19-8-13/h3,6-8,15H,1,4-5,9-11H2,2H3,(H,19,20,22)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133675 (US8846711, 19 | US9051321, 19) Show SMILES CC(=C)COC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C18H21N3O3/c1-12(2)11-24-15-9-21(10-15)17(23)6-3-13-7-14-4-5-16(22)20-18(14)19-8-13/h3,6-8,15H,1,4-5,9-11H2,2H3,(H,19,20,22)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399403 (CHEMBL2178288) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(O)=O)cc1F Show InChI InChI=1S/C15H12F2O4/c1-2-8-6-12(18)14(7-10(8)16)21-13-4-3-9(15(19)20)5-11(13)17/h3-7,18H,2H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133661 (US8846711, 5 | US9051321, 5) Show SMILES CC(C)(C)OC(=O)N1CCC(COc2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H24FNO3/c1-17(2,3)22-16(20)19-10-8-13(9-11-19)12-21-15-6-4-14(18)5-7-15/h4-7,13H,8-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133661 (US8846711, 5 | US9051321, 5) Show SMILES CC(C)(C)OC(=O)N1CCC(COc2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H24FNO3/c1-17(2,3)22-16(20)19-10-8-13(9-11-19)12-21-15-6-4-14(18)5-7-15/h4-7,13H,8-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133680 (US8846711, 24 | US9051321, 24) Show SMILES CC(=O)Nc1ccc(\C=C\C(=O)N2CC(C2)OCc2ccncc2)cn1 Show InChI InChI=1S/C19H20N4O3/c1-14(24)22-18-4-2-15(10-21-18)3-5-19(25)23-11-17(12-23)26-13-16-6-8-20-9-7-16/h2-10,17H,11-13H2,1H3,(H,21,22,24)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133680 (US8846711, 24 | US9051321, 24) Show SMILES CC(=O)Nc1ccc(\C=C\C(=O)N2CC(C2)OCc2ccncc2)cn1 Show InChI InChI=1S/C19H20N4O3/c1-14(24)22-18-4-2-15(10-21-18)3-5-19(25)23-11-17(12-23)26-13-16-6-8-20-9-7-16/h2-10,17H,11-13H2,1H3,(H,21,22,24)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133670 (US8846711, 14 | US9051321, 14) Show SMILES OC1(CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1)c1ccccc1 Show InChI InChI=1S/C22H23N3O3/c26-19-8-7-17-14-16(15-23-21(17)24-19)6-9-20(27)25-12-10-22(28,11-13-25)18-4-2-1-3-5-18/h1-6,9,14-15,28H,7-8,10-13H2,(H,23,24,26)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133670 (US8846711, 14 | US9051321, 14) Show SMILES OC1(CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1)c1ccccc1 Show InChI InChI=1S/C22H23N3O3/c26-19-8-7-17-14-16(15-23-21(17)24-19)6-9-20(27)25-12-10-22(28,11-13-25)18-4-2-1-3-5-18/h1-6,9,14-15,28H,7-8,10-13H2,(H,23,24,26)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133684 (US8846711, 27) Show SMILES COC(=O)c1cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2[nH]c1=O Show InChI InChI=1S/C25H24FN3O5/c1-33-25(32)21-13-18-12-17(14-27-23(18)28-24(21)31)2-7-22(30)29-10-8-16(9-11-29)15-34-20-5-3-19(26)4-6-20/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28,31)/b7-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM9913 (US8846711, 26 | US9051321, 27) Show SMILES NC(=O)C1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O Show InChI InChI=1S/C24H25FN4O4/c25-18-2-4-19(5-3-18)33-14-15-7-9-29(10-8-15)21(30)6-1-16-11-17-12-20(22(26)31)24(32)28-23(17)27-13-16/h1-6,11,13,15,20H,7-10,12,14H2,(H2,26,31)(H,27,28,32)/b6-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133677 (US8846711, 21 | US9051321, 21) Show SMILES C\C(Cc1ncccn1)=N/OC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |w:10.10| Show InChI InChI=1S/C21H22N6O3/c1-14(9-18-22-7-2-8-23-18)26-30-17-12-27(13-17)20(29)6-3-15-10-16-4-5-19(28)25-21(16)24-11-15/h2-3,6-8,10-11,17H,4-5,9,12-13H2,1H3,(H,24,25,28)/b6-3+,26-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	870	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133677 (US8846711, 21 | US9051321, 21) Show SMILES C\C(Cc1ncccn1)=N/OC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |w:10.10| Show InChI InChI=1S/C21H22N6O3/c1-14(9-18-22-7-2-8-23-18)26-30-17-12-27(13-17)20(29)6-3-15-10-16-4-5-19(28)25-21(16)24-11-15/h2-3,6-8,10-11,17H,4-5,9,12-13H2,1H3,(H,24,25,28)/b6-3+,26-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	870	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133672 (US8846711, 16 | US9051321, 16) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(C1)Oc1cccnc1 Show InChI InChI=1S/C20H20N4O3/c25-18-5-4-15-10-14(11-22-20(15)23-18)3-6-19(26)24-9-7-17(13-24)27-16-2-1-8-21-12-16/h1-3,6,8,10-12,17H,4-5,7,9,13H2,(H,22,23,25)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133672 (US8846711, 16 | US9051321, 16) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(C1)Oc1cccnc1 Show InChI InChI=1S/C20H20N4O3/c25-18-5-4-15-10-14(11-22-20(15)23-18)3-6-19(26)24-9-7-17(13-24)27-16-2-1-8-21-12-16/h1-3,6,8,10-12,17H,4-5,7,9,13H2,(H,22,23,25)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM162329 (US9051321, 6) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)Oc1ccccc1 Show InChI InChI=1S/C20H19N3O3/c24-18-8-7-15-10-14(11-21-20(15)22-18)6-9-19(25)23-12-17(13-23)26-16-4-2-1-3-5-16/h1-6,9-11,17H,7-8,12-13H2,(H,21,22,24)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	6.5	25
FAB PHARMA S.A.S. US Patent					Assay Description The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 ...				US Patent US9051321 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GDG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM133662 (US8846711, 6) Show SMILES CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H19NO3S/c1-22(19,20)21-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	6.5	25
Fab Pharma S.A.S. US Patent					Assay Description Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S...				US Patent US8846711 (2014) BindingDB Entry DOI: 10.7270/Q2QN65FV
					More data for this Ligand-Target Pair

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