Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1322   

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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM316941 (US9617262, Compound 61) Show SMILES COc1ccncc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:9| Show InChI InChI=1S/C24H24N4O3/c1-31-21-6-7-25-12-20(21)17-9-18-13-28(14-19(18)10-17)23(30)5-2-15-8-16-3-4-22(29)27-24(16)26-11-15/h2,5-9,11-12,18-19H,3-4,10,13-14H2,1H3,(H,26,27,29)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.29E+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)	BDBM316896 (US9617262, Compound 10) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccsc1 |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+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35E+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)	BDBM316930 (US9617262, Compound 46) Show SMILES CCOC(=O)C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:5| Show InChI InChI=1S/C21H23N3O4/c1-2-28-21(27)15-8-16-11-24(12-17(16)9-15)19(26)6-3-13-7-14-4-5-18(25)23-20(14)22-10-13/h3,6-8,10,16-17H,2,4-5,9,11-12H2,1H3,(H,22,23,25)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41E+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)	BDBM316934 (US9617262, Compound 51) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1cn[nH]c1 |c:21| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.43E+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)	BDBM316892 (US9617262, Compound 5) Show SMILES COc1ccccc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:9| Show InChI InChI=1S/C25H25N3O3/c1-31-22-5-3-2-4-21(22)18-11-19-14-28(15-20(19)12-18)24(30)9-6-16-10-17-7-8-23(29)27-25(17)26-13-16/h2-6,9-11,13,19-20H,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	1.44E+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)	BDBM316940 (US9617262, Compound 60) Show SMILES Cc1cscc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C23H23N3O2S/c1-14-12-29-13-20(14)17-7-18-10-26(11-19(18)8-17)22(28)5-2-15-6-16-3-4-21(27)25-23(16)24-9-15/h2,5-7,9,12-13,18-19H,3-4,8,10-11H2,1H3,(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	1.45E+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)	BDBM316909 (US9617262, Compound 24) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@H]2CN(C[C@H]2C1)c1nccs1 |r| Show InChI InChI=1S/C20H21N5O2S/c26-17-3-2-14-7-13(8-22-19(14)23-17)1-4-18(27)24-9-15-11-25(12-16(15)10-24)20-21-5-6-28-20/h1,4-8,15-16H,2-3,9-12H2,(H,22,23,26)/b4-1+/t15-,16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46E+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)	BDBM316923 (US9617262, Compound 39) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(CC2C1)n1nccn1 Show InChI InChI=1S/C20H22N6O2/c27-18-3-2-14-7-13(10-21-20(14)24-18)1-4-19(28)25-11-15-8-17(9-16(15)12-25)26-22-5-6-23-26/h1,4-7,10,15-17H,2-3,8-9,11-12H2,(H,21,24,27)/b4-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.47E+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)	BDBM316927 (US9617262, Compound 43) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(Cc3ccccc3)=CC2C1 |c:29| Show InChI InChI=1S/C25H25N3O2/c29-23-8-7-20-11-18(14-26-25(20)27-23)6-9-24(30)28-15-21-12-19(13-22(21)16-28)10-17-4-2-1-3-5-17/h1-6,9,11-12,14,21-22H,7-8,10,13,15-16H2,(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	1.50E+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)	BDBM316945 (US9617262, Compound 67) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccc(s1)C#N |c:21| Show InChI InChI=1S/C23H20N4O2S/c24-10-19-3-4-20(30-19)16-8-17-12-27(13-18(17)9-16)22(29)6-1-14-7-15-2-5-21(28)26-23(15)25-11-14/h1,3-4,6-8,11,17-18H,2,5,9,12-13H2,(H,25,26,28)/b6-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+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)	BDBM316912 (US9617262, Compound 27) Show SMILES Cn1cc(cn1)C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C22H23N5O2/c1-26-11-19(10-24-26)16-7-17-12-27(13-18(17)8-16)21(29)5-2-14-6-15-3-4-20(28)25-22(15)23-9-14/h2,5-7,9-11,17-18H,3-4,8,12-13H2,1H3,(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	1.54E+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)	BDBM316907 (US9617262, Compound 22) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccoc1 |c:21| Show InChI InChI=1S/C22H21N3O3/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+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.54E+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)	BDBM316935 (US9617262, Compound 52) Show SMILES CC1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:1| Show InChI InChI=1S/C19H21N3O2/c1-12-6-15-10-22(11-16(15)7-12)18(24)5-2-13-8-14-3-4-17(23)21-19(14)20-9-13/h2,5-6,8-9,15-16H,3-4,7,10-11H2,1H3,(H,20,21,23)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.54E+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)	BDBM316943 (US9617262, Compound 63) Show SMILES Cc1csc(c1)C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C23H23N3O2S/c1-14-6-20(29-13-14)17-8-18-11-26(12-19(18)9-17)22(28)5-2-15-7-16-3-4-21(27)25-23(16)24-10-15/h2,5-8,10,13,18-19H,3-4,9,11-12H2,1H3,(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	1.55E+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)	BDBM316938 (US9617262, Compound 57) Show SMILES Cc1ccc(o1)C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C23H23N3O3/c1-14-2-5-20(29-14)17-9-18-12-26(13-19(18)10-17)22(28)7-3-15-8-16-4-6-21(27)25-23(16)24-11-15/h2-3,5,7-9,11,18-19H,4,6,10,12-13H2,1H3,(H,24,25,27)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.59E+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)	BDBM316906 (US9617262, Compound 21) Show SMILES Fc1ccccc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:8| Show InChI InChI=1S/C24H22FN3O2/c25-21-4-2-1-3-20(21)17-10-18-13-28(14-19(18)11-17)23(30)8-5-15-9-16-6-7-22(29)27-24(16)26-12-15/h1-5,8-10,12,18-19H,6-7,11,13-14H2,(H,26,27,29)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.61E+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)	BDBM316904 (US9617262, Compound 19) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccco1 |c:21| Show InChI InChI=1S/C22H21N3O3/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	1.65E+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)	BDBM316891 (US9617262, Compound 4) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@H]2CN(C[C@H]2C1)c1cccs1 |r| Show InChI InChI=1S/C21H22N4O2S/c26-18-5-4-15-8-14(9-22-21(15)23-18)3-6-19(27)24-10-16-12-25(13-17(16)11-24)20-2-1-7-28-20/h1-3,6-9,16-17H,4-5,10-13H2,(H,22,23,26)/b6-3+/t16-,17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.77E+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)	BDBM316939 (US9617262, Compound 59) Show SMILES Clc1sccc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C22H20ClN3O2S/c23-21-18(5-6-29-21)15-8-16-11-26(12-17(16)9-15)20(28)4-1-13-7-14-2-3-19(27)25-22(14)24-10-13/h1,4-8,10,16-17H,2-3,9,11-12H2,(H,24,25,27)/b4-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+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)	BDBM316895 (US9617262, Compound 9) Show SMILES Clc1ccccc1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:8| Show InChI InChI=1S/C24H22ClN3O2/c25-21-4-2-1-3-20(21)17-10-18-13-28(14-19(18)11-17)23(30)8-5-15-9-16-6-7-22(29)27-24(16)26-12-15/h1-5,8-10,12,18-19H,6-7,11,13-14H2,(H,26,27,29)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+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)	BDBM316889 (US9617262, Compound 2) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@H]2CN(C[C@H]2C1)c1ccccc1 |r| Show InChI InChI=1S/C23H24N4O2/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/h1-6,9-11,18-19H,7-8,12-15H2,(H,24,25,28)/b9-6+/t18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+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)	BDBM316949 (US9617262, Compound 73) Show SMILES O=C(C#Cc1cnc2NC(=O)CCc2c1)N1CC2CC(=CC2C1)c1ccccc1 |c:21| Show InChI InChI=1S/C24H21N3O2/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/h1-5,10-11,13,20-21H,7-8,12,14-15H2,(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.08E+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)	BDBM316920 (US9617262, Compound 36) Show SMILES Clc1cccc(c1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |r| Show InChI InChI=1S/C23H23ClN4O2/c24-19-2-1-3-20(9-19)27-11-17-13-28(14-18(17)12-27)22(30)7-4-15-8-16-5-6-21(29)26-23(16)25-10-15/h1-4,7-10,17-18H,5-6,11-14H2,(H,25,26,29)/b7-4+/t17-,18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.19E+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)	BDBM316946 (US9617262, Compound 68) Show SMILES Clc1ccc(s1)C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:7| Show InChI InChI=1S/C22H20ClN3O2S/c23-19-4-3-18(29-19)15-8-16-11-26(12-17(16)9-15)21(28)6-1-13-7-14-2-5-20(27)25-22(14)24-10-13/h1,3-4,6-8,10,16-17H,2,5,9,11-12H2,(H,24,25,27)/b6-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.32E+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)	BDBM316926 (US9617262, Compound 42) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC=CC2C1 |c:21| Show InChI InChI=1S/C18H19N3O2/c22-16-6-5-13-8-12(9-19-18(13)20-16)4-7-17(23)21-10-14-2-1-3-15(14)11-21/h1-2,4,7-9,14-15H,3,5-6,10-11H2,(H,19,20,22)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.68E+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)	BDBM316905 (US9617262, Compound 20) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@H]2CN(C[C@H]2C1)c1cccnc1 |r| Show InChI InChI=1S/C22H23N5O2/c28-20-5-4-16-8-15(9-24-22(16)25-20)3-6-21(29)27-13-17-11-26(12-18(17)14-27)19-2-1-7-23-10-19/h1-3,6-10,17-18H,4-5,11-14H2,(H,24,25,28)/b6-3+/t17-,18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.74E+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)	BDBM316913 (US9617262, Compound 29) Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC2CC(CC2C1)n1cccn1 Show InChI InChI=1S/C21H23N5O2/c27-19-4-3-15-8-14(11-22-21(15)24-19)2-5-20(28)25-12-16-9-18(10-17(16)13-25)26-7-1-6-23-26/h1-2,5-8,11,16-18H,3-4,9-10,12-13H2,(H,22,24,27)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.75E+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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