Compile Data Set for Download or QSAR

Found 144 hits Enz. Inhib. hit(s) with Target = 'NADPH-dependent enoyl-ACP reductase (FabI)'   

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)	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)	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)	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)	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)	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)	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)	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)	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 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)	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)	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)	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)	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)	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)	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)	BDBM316890 (US9617262, Compound 3) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1cccs1 |c:21| Show InChI InChI=1S/C22H21N3O2S/c26-20-5-4-15-8-14(11-23-22(15)24-20)3-6-21(27)25-12-17-9-16(10-18(17)13-25)19-2-1-7-28-19/h1-3,6-9,11,17-18H,4-5,10,12-13H2,(H,23,24,26)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM302048 (US9598407, Compound 4) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23N3O2/c26-20-8-7-19-14-16(15-23-22(19)24-20)6-9-21(27)25-12-10-18(11-13-25)17-4-2-1-3-5-17/h1-6,9,14-15,18H,7-8,10-13H2,(H,23,24,26)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	802	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9598407 (2017) BindingDB Entry DOI: 10.7270/Q27083GB
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM302046 (US9598407, Compound 2) Show SMILES COc1ccccc1C1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:9| Show InChI InChI=1S/C23H23N3O3/c1-29-20-5-3-2-4-19(20)17-10-12-26(13-11-17)22(28)9-6-16-14-18-7-8-21(27)25-23(18)24-15-16/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,24,25,27)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	821	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9598407 (2017) BindingDB Entry DOI: 10.7270/Q27083GB
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM302056 (US9598407, Compound 12) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H25N3O2/c27-21-8-7-20-15-19(16-24-23(20)25-21)6-9-22(28)26-12-10-18(11-13-26)14-17-4-2-1-3-5-17/h1-6,9,15-16,18H,7-8,10-14H2,(H,24,25,27)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	825	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9598407 (2017) BindingDB Entry DOI: 10.7270/Q27083GB
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316888 (US9617262, Compound 1) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccccc1 |c:21| Show InChI InChI=1S/C24H23N3O2/c28-22-8-7-18-10-16(13-25-24(18)26-22)6-9-23(29)27-14-20-11-19(12-21(20)15-27)17-4-2-1-3-5-17/h1-6,9-11,13,20-21H,7-8,12,14-15H2,(H,25,26,28)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					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)	BDBM302049 (US9598407, Compound 5) Show SMILES Oc1cccc(c1)C1CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H23N3O3/c26-19-3-1-2-17(13-19)16-8-10-25(11-9-16)21(28)7-4-15-12-18-5-6-20(27)24-22(18)23-14-15/h1-4,7,12-14,16,26H,5-6,8-11H2,(H,23,24,27)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	927	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9598407 (2017) BindingDB Entry DOI: 10.7270/Q27083GB
					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)	BDBM316902 (US9617262, Compound 17) Show SMILES Cc1ccccc1N1C[C@@H]2CN(C[C@@H]2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |r| Show InChI InChI=1S/C24H26N4O2/c1-16-4-2-3-5-21(16)27-12-19-14-28(15-20(19)13-27)23(30)9-6-17-10-18-7-8-22(29)26-24(18)25-11-17/h2-6,9-11,19-20H,7-8,12-15H2,1H3,(H,25,26,29)/b9-6+/t19-,20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	944	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM302053 (US9598407, Compound 9) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1ccco1 |c:20| Show InChI InChI=1S/C20H19N3O3/c24-18-5-4-16-12-14(13-21-20(16)22-18)3-6-19(25)23-9-7-15(8-10-23)17-2-1-11-26-17/h1-3,6-7,11-13H,4-5,8-10H2,(H,21,22,24)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	973	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9598407 (2017) BindingDB Entry DOI: 10.7270/Q27083GB
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316908 (US9617262, Compound 23) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccccc1C#N |c:21| Show InChI InChI=1S/C25H22N4O2/c26-12-18-3-1-2-4-22(18)19-10-20-14-29(15-21(20)11-19)24(31)8-5-16-9-17-6-7-23(30)28-25(17)27-13-16/h1-5,8-10,13,20-21H,6-7,11,14-15H2,(H,27,28,30)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	998	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316899 (US9617262, Compound 13) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@H]2C[N](=C[C@H]2C1)c1ccccc1 |r,c:21| Show InChI InChI=1S/C23H23N4O2/c28-21-8-7-17-10-16(11-24-23(17)25-21)6-9-22(29)27-14-18-12-26(13-19(18)15-27)20-4-2-1-3-5-20/h1-6,9-12,18-19H,7-8,13-15H2,(H,24,25,28)/b9-6+/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					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)	BDBM316924 (US9617262, Compound 40) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@H]2C[N](=C[C@H]2C1)c1ccncc1 |r,c:21| Show InChI InChI=1S/C22H22N5O2/c28-20-3-2-16-9-15(10-24-22(16)25-20)1-4-21(29)27-13-17-11-26(12-18(17)14-27)19-5-7-23-8-6-19/h1,4-11,17-18H,2-3,12-14H2,(H,24,25,28)/b4-1+/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316942 (US9617262, Compound 62) Show SMILES CC(=O)c1ccc(s1)C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:9| Show InChI InChI=1S/C24H23N3O3S/c1-14(28)20-4-5-21(31-20)17-9-18-12-27(13-19(18)10-17)23(30)7-2-15-8-16-3-6-22(29)26-24(16)25-11-15/h2,4-5,7-9,11,18-19H,3,6,10,12-13H2,1H3,(H,25,26,29)/b7-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316948 (US9617262, Compound 72) Show SMILES COc1ccsc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:8| Show InChI InChI=1S/C23H23N3O3S/c1-29-19-6-7-30-22(19)16-9-17-12-26(13-18(17)10-16)21(28)5-2-14-8-15-3-4-20(27)25-23(15)24-11-14/h2,5-9,11,17-18H,3-4,10,12-13H2,1H3,(H,24,25,27)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316931 (US9617262, Compound 47) Show SMILES Clc1ncccc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:8| Show InChI InChI=1S/C23H21ClN4O2/c24-22-19(2-1-7-25-22)16-9-17-12-28(13-18(17)10-16)21(30)6-3-14-8-15-4-5-20(29)27-23(15)26-11-14/h1-3,6-9,11,17-18H,4-5,10,12-13H2,(H,26,27,29)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316900 (US9617262, Compound 14) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@@H]2C[N](=C[C@@H]2C1)c1ccccc1 |r,c:21| Show InChI InChI=1S/C23H23N4O2/c28-21-8-7-17-10-16(11-24-23(17)25-21)6-9-22(29)27-14-18-12-26(13-19(18)15-27)20-4-2-1-3-5-20/h1-6,9-12,18-19H,7-8,13-15H2,(H,24,25,28)/b9-6+/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316903 (US9617262, Compound 18) Show SMILES Clc1ccccc1N1C[C@@H]2CN(C[C@@H]2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |r| Show InChI InChI=1S/C23H23ClN4O2/c24-19-3-1-2-4-20(19)27-11-17-13-28(14-18(17)12-27)22(30)8-5-15-9-16-6-7-21(29)26-23(16)25-10-15/h1-5,8-10,17-18H,6-7,11-14H2,(H,25,26,29)/b8-5+/t17-,18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316936 (US9617262, Compound 53) Show SMILES CCC1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:2| Show InChI InChI=1S/C20H23N3O2/c1-2-13-7-16-11-23(12-17(16)8-13)19(25)6-3-14-9-15-4-5-18(24)22-20(15)21-10-14/h3,6-7,9-10,16-17H,2,4-5,8,11-12H2,1H3,(H,21,22,24)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316911 (US9617262, Compound 26) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1cccnc1 |c:21| Show InChI InChI=1S/C23H22N4O2/c28-21-5-4-16-8-15(11-25-23(16)26-21)3-6-22(29)27-13-19-9-18(10-20(19)14-27)17-2-1-7-24-12-17/h1-3,6-9,11-12,19-20H,4-5,10,13-14H2,(H,25,26,28)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316933 (US9617262, Compound 49) Show SMILES Cc1nnc(s1)C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C21H21N5O2S/c1-12-24-25-21(29-12)15-7-16-10-26(11-17(16)8-15)19(28)5-2-13-6-14-3-4-18(27)23-20(14)22-9-13/h2,5-7,9,16-17H,3-4,8,10-11H2,1H3,(H,22,23,27)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316925 (US9617262, Compound 41) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@@H]2CC(=C[C@@H]2C1)c1ccncc1 |r,c:21| Show InChI InChI=1S/C23H22N4O2/c28-21-3-2-17-9-15(12-25-23(17)26-21)1-4-22(29)27-13-19-10-18(11-20(19)14-27)16-5-7-24-8-6-16/h1,4-10,12,19-20H,2-3,11,13-14H2,(H,25,26,28)/b4-1+/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316898 (US9617262, Compound 12) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccncc1 |c:21| Show InChI InChI=1S/C23H22N4O2/c28-21-3-2-17-9-15(12-25-23(17)26-21)1-4-22(29)27-13-19-10-18(11-20(19)14-27)16-5-7-24-8-6-16/h1,4-10,12,19-20H,2-3,11,13-14H2,(H,25,26,28)/b4-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316929 (US9617262, Compound 45) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@@H]2CC(=C[C@@H]2C1)c1ccsc1 |r,c:21| Show InChI InChI=1S/C22H21N3O2S/c26-20-3-2-15-7-14(10-23-22(15)24-20)1-4-21(27)25-11-18-8-17(9-19(18)12-25)16-5-6-28-13-16/h1,4-8,10,13,18-19H,2-3,9,11-12H2,(H,23,24,26)/b4-1+/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM302077 (US9598407, Compound 34) Show SMILES Fc1ccc(OCC2CCN(CC2)C(=O)\C=C\c2cnc3NC(=O)CCc3c2)cc1 Show InChI InChI=1S/C23H24FN3O3/c24-19-3-5-20(6-4-19)30-15-16-9-11-27(12-10-16)22(29)8-1-17-13-18-2-7-21(28)26-23(18)25-14-17/h1,3-6,8,13-14,16H,2,7,9-12,15H2,(H,25,26,28)/b8-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9598407 (2017) BindingDB Entry DOI: 10.7270/Q27083GB
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM302051 (US9598407, Compound 7) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1ccccc1 |c:20| Show InChI InChI=1S/C22H21N3O2/c26-20-8-7-19-14-16(15-23-22(19)24-20)6-9-21(27)25-12-10-18(11-13-25)17-4-2-1-3-5-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,23,24,26)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9598407 (2017) BindingDB Entry DOI: 10.7270/Q27083GB
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316928 (US9617262, Compound 44) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@H]2CC(=C[C@H]2C1)c1ccsc1 |r,c:21| Show InChI InChI=1S/C22H21N3O2S/c26-20-3-2-15-7-14(10-23-22(15)24-20)1-4-21(27)25-11-18-8-17(9-19(18)12-25)16-5-6-28-13-16/h1,4-8,10,13,18-19H,2-3,9,11-12H2,(H,23,24,26)/b4-1+/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316916 (US9617262, Compound 32) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1nccs1 |c:21| Show InChI InChI=1S/C21H20N4O2S/c26-18-3-2-14-7-13(10-23-20(14)24-18)1-4-19(27)25-11-16-8-15(9-17(16)12-25)21-22-5-6-28-21/h1,4-8,10,16-17H,2-3,9,11-12H2,(H,23,24,26)/b4-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316894 (US9617262, Compound 8) Show SMILES COc1ccccc1N1C[C@@H]2CN(C[C@@H]2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |r| Show InChI InChI=1S/C24H26N4O3/c1-31-21-5-3-2-4-20(21)27-12-18-14-28(15-19(18)13-27)23(30)9-6-16-10-17-7-8-22(29)26-24(17)25-11-16/h2-6,9-11,18-19H,7-8,12-15H2,1H3,(H,25,26,29)/b9-6+/t18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316897 (US9617262, Compound 11) Show SMILES Cc1ccccc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:8| Show InChI InChI=1S/C25H25N3O2/c1-16-4-2-3-5-22(16)19-11-20-14-28(15-21(20)12-19)24(30)9-6-17-10-18-7-8-23(29)27-25(18)26-13-17/h2-6,9-11,13,20-21H,7-8,12,14-15H2,1H3,(H,26,27,29)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316901 (US9617262, Compound 15) Show SMILES Cn1nccc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C22H23N5O2/c1-26-19(6-7-24-26)16-9-17-12-27(13-18(17)10-16)21(29)5-2-14-8-15-3-4-20(28)25-22(15)23-11-14/h2,5-9,11,17-18H,3-4,10,12-13H2,1H3,(H,23,25,28)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316910 (US9617262, Compound 25) Show SMILES Cc1noc(C)c1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:8| Show InChI InChI=1S/C23H24N4O3/c1-13-22(14(2)30-26-13)17-8-18-11-27(12-19(18)9-17)21(29)6-3-15-7-16-4-5-20(28)25-23(16)24-10-15/h3,6-8,10,18-19H,4-5,9,11-12H2,1-2H3,(H,24,25,28)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...				US Patent US9617262 (2017) BindingDB Entry DOI: 10.7270/Q21C1ZZ7
					More data for this Ligand-Target Pair

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