Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'polizzi' and Initial = 'bj'   

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)	BDBM8736 ((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...) Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8735 ((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...) Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8735 ((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...) Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8734 ((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8732 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8735 ((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...) Show SMILES CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8734 ((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8736 ((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...) Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<70	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8736 ((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...) Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					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	70	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	70	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8733 ((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8733 ((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8734 ((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8730 ((2E)-3-(6-acetamidopyridin-3-yl)-N-methyl-N-[(1-me...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(NC(C)=O)nc1 Show InChI InChI=1S/C21H22N4O2/c1-15(26)23-20-10-8-16(13-22-20)9-11-21(27)24(2)14-18-12-17-6-4-5-7-19(17)25(18)3/h4-13H,14H2,1-3H3,(H,22,23,26)/b11-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8733 ((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	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	430	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8732 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8728 ((2E)-3-(6-amino-5-methylpyridin-3-yl)-N-methyl-N-[...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)c(C)c1 Show InChI InChI=1S/C20H22N4O/c1-14-10-15(12-22-20(14)21)8-9-19(25)23(2)13-17-11-16-6-4-5-7-18(16)24(17)3/h4-12H,13H2,1-3H3,(H2,21,22)/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8731 ((2E)-3-(6-acetamido-5-methylpyridin-3-yl)-N-methyl...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(NC(C)=O)c(C)c1 Show InChI InChI=1S/C22H24N4O2/c1-15-11-17(13-23-22(15)24-16(2)27)9-10-21(28)25(3)14-19-12-18-7-5-6-8-20(18)26(19)4/h5-13H,14H2,1-4H3,(H,23,24,27)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8730 ((2E)-3-(6-acetamidopyridin-3-yl)-N-methyl-N-[(1-me...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(NC(C)=O)nc1 Show InChI InChI=1S/C21H22N4O2/c1-15(26)23-20-10-8-16(13-22-20)9-11-21(27)24(2)14-18-12-17-6-4-5-7-19(17)25(18)3/h4-13H,14H2,1-3H3,(H,22,23,26)/b11-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8721 ((2E)-3-(2-aminopyrimidin-5-yl)-N-methyl-N-[(1-meth...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)nc1 Show InChI InChI=1S/C18H19N5O/c1-22(17(24)8-7-13-10-20-18(19)21-11-13)12-15-9-14-5-3-4-6-16(14)23(15)2/h3-11H,12H2,1-2H3,(H2,19,20,21)/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8729 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NCCCc2c1 Show InChI InChI=1S/C22H24N4O/c1-25(15-19-13-17-6-3-4-8-20(17)26(19)2)21(27)10-9-16-12-18-7-5-11-23-22(18)24-14-16/h3-4,6,8-10,12-14H,5,7,11,15H2,1-2H3,(H,23,24)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8720 ((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)nc1 Show InChI InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8720 ((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)nc1 Show InChI InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8715 (1,4-Benzodiazepine deriv. 4 | N,4-Dimethyl-N-(1-me...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc2NCC(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H24N4O2/c1-24-13-17-10-16(8-9-19(17)23-12-21(24)27)22(28)25(2)14-18-11-15-6-4-5-7-20(15)26(18)3/h4-11,23H,12-14H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8718 (4-Amino-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C18H19N3O/c1-20(18(22)13-7-9-15(19)10-8-13)12-16-11-14-5-3-4-6-17(14)21(16)2/h3-11H,12,19H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8729 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NCCCc2c1 Show InChI InChI=1S/C22H24N4O/c1-25(15-19-13-17-6-3-4-8-20(17)26(19)2)21(27)10-9-16-12-18-7-5-11-23-22(18)24-14-16/h3-4,6,8-10,12-14H,5,7,11,15H2,1-2H3,(H,23,24)/b10-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Trans-2-enoyl-ACP reductase II (Streptococcus pneumoniae)	BDBM8734 ((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14-18(17-5-3-4-6-19(17)24-14)13-26(2)21(28)10-7-15-11-16-8-9-20(27)25-22(16)23-12-15/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,23,25,27)/b10-7+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8720 ((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)nc1 Show InChI InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8720 ((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)nc1 Show InChI InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8721 ((2E)-3-(2-aminopyrimidin-5-yl)-N-methyl-N-[(1-meth...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)nc1 Show InChI InChI=1S/C18H19N5O/c1-22(17(24)8-7-13-10-20-18(19)21-11-13)12-15-9-14-5-3-4-6-16(14)23(15)2/h3-11H,12H2,1-2H3,(H2,19,20,21)/b8-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8716 (3-[(N-Acetyl-N-methylamino)methyl]-4-amino-N-methy...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)c(CN(C)C(C)=O)c1 Show InChI InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Trans-2-enoyl-ACP reductase II (Streptococcus pneumoniae)	BDBM8733 ((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...) Show SMILES CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8713 ((2R)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...) Show SMILES COC(=O)C[C@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C |r| Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8728 ((2E)-3-(6-amino-5-methylpyridin-3-yl)-N-methyl-N-[...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)c(C)c1 Show InChI InChI=1S/C20H22N4O/c1-14-10-15(12-22-20(14)21)8-9-19(25)23(2)13-17-11-16-6-4-5-7-18(16)24(17)3/h4-12H,13H2,1-3H3,(H2,21,22)/b9-8+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8716 (3-[(N-Acetyl-N-methylamino)methyl]-4-amino-N-methy...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)c(CN(C)C(C)=O)c1 Show InChI InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8712 (1,4-Benzodiazepine deriv. 1 | methyl 2-(4-methyl-7...) Show SMILES COC(=O)CC1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8731 ((2E)-3-(6-acetamido-5-methylpyridin-3-yl)-N-methyl...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(NC(C)=O)c(C)c1 Show InChI InChI=1S/C22H24N4O2/c1-15-11-17(13-23-22(15)24-16(2)27)9-10-21(28)25(3)14-19-12-18-7-5-6-8-20(18)26(19)4/h5-13H,14H2,1-4H3,(H,23,24,27)/b10-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8724 ((2E)-3-(4-aminophenyl)-N-methyl-N-[(1-methyl-1H-in...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)cc1 Show InChI InChI=1S/C20H21N3O/c1-22(20(24)12-9-15-7-10-17(21)11-8-15)14-18-13-16-5-3-4-6-19(16)23(18)2/h3-13H,14,21H2,1-2H3/b12-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8713 ((2R)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...) Show SMILES COC(=O)C[C@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C |r| Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8724 ((2E)-3-(4-aminophenyl)-N-methyl-N-[(1-methyl-1H-in...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)cc1 Show InChI InChI=1S/C20H21N3O/c1-22(20(24)12-9-15-7-10-17(21)11-8-15)14-18-13-16-5-3-4-6-19(16)23(18)2/h3-13H,14,21H2,1-2H3/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8725 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cccnc1 Show InChI InChI=1S/C19H19N3O/c1-21(19(23)10-9-15-6-5-11-20-13-15)14-17-12-16-7-3-4-8-18(16)22(17)2/h3-13H,14H2,1-2H3/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8725 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cccnc1 Show InChI InChI=1S/C19H19N3O/c1-21(19(23)10-9-15-6-5-11-20-13-15)14-17-12-16-7-3-4-8-18(16)22(17)2/h3-13H,14H2,1-2H3/b10-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8718 (4-Amino-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C18H19N3O/c1-20(18(22)13-7-9-15(19)10-8-13)12-16-11-14-5-3-4-6-17(14)21(16)2/h3-11H,12,19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8712 (1,4-Benzodiazepine deriv. 1 | methyl 2-(4-methyl-7...) Show SMILES COC(=O)CC1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Haemophilus influenzae)	BDBM8723 (6-Amino-N-methyl-N-(1-methyl-1H-indol-2-yl)nicotin...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)nc1 Show InChI InChI=1S/C17H18N4O/c1-20(17(22)13-7-8-16(18)19-10-13)11-14-9-12-5-3-4-6-15(12)21(14)2/h3-10H,11H2,1-2H3,(H2,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8715 (1,4-Benzodiazepine deriv. 4 | N,4-Dimethyl-N-(1-me...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)c1ccc2NCC(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H24N4O2/c1-24-13-17-10-16(8-9-19(17)23-12-21(24)27)22(28)25(2)14-18-11-15-6-4-5-7-20(15)26(18)3/h4-11,23H,12-14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
					More data for this Ligand-Target Pair
Trans-2-enoyl-ACP reductase II (Streptococcus pneumoniae)	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/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Trans-2-enoyl-ACP reductase II (Streptococcus pneumoniae)	BDBM8736 ((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...) Show SMILES CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair

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