Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'jaworski' and Initial = 'dd'   

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
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50112575 (2-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-yl...) Show SMILES Oc1cc(NCCCNC2CCNc3c(Br)cc(Br)cc23)nc2ccccc12 Show InChI InChI=1S/C21H22Br2N4O/c22-13-10-15-17(6-9-26-21(15)16(23)11-13)24-7-3-8-25-20-12-19(28)14-4-1-2-5-18(14)27-20/h1-2,4-5,10-12,17,24,26H,3,6-9H2,(H2,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Methionyl-tRNA synthetase in a pyrophosphate exchange assay				J Med Chem 45: 1959-62 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z6X
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50112577 (2-[3-(6-Ethyl-8-iodo-1,2,3,4-tetrahydro-quinolin-4...) Show SMILES CCc1cc(I)c2NCCC(NCCCNc3cc(O)c4ccccc4n3)c2c1 Show InChI InChI=1S/C23H27IN4O/c1-2-15-12-17-19(8-11-27-23(17)18(24)13-15)25-9-5-10-26-22-14-21(29)16-6-3-4-7-20(16)28-22/h3-4,6-7,12-14,19,25,27H,2,5,8-11H2,1H3,(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Staphylococcus aureus Methionyl-tRNA synthetase				J Med Chem 45: 1959-62 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z6X
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8767 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 3 | 4-({9-[(...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-13-14-26(16-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2	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	110	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8786 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 30 | 2-({9-...) Show SMILES Cc1ccc(C(=O)N2CCc3c(C2)n(Cc2ccc(O)cc2)c2ccccc32)c(O)c1 Show InChI InChI=1S/C26H24N2O3/c1-17-6-11-22(25(30)14-17)26(31)27-13-12-21-20-4-2-3-5-23(20)28(24(21)16-27)15-18-7-9-19(29)10-8-18/h2-11,14,29-30H,12-13,15-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8787 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 31 | 5-chlo...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2O)cc1 Show InChI InChI=1S/C25H21ClN2O3/c26-17-7-10-21(24(30)13-17)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8789 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 33 | 2-chlo...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1 Show InChI InChI=1S/C25H21ClN2O3/c26-21-13-17(7-10-24(21)30)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8788 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 32 | 4-({9-...) Show SMILES Cc1cc(ccc1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C26H24N2O3/c1-17-14-19(8-11-25(17)30)26(31)27-13-12-22-21-4-2-3-5-23(21)28(24(22)16-27)15-18-6-9-20(29)10-7-18/h2-11,14,29-30H,12-13,15-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8778 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 22 | 4-({2-...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H21ClN2O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8776 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 20 | 4-({2-...) Show SMILES Cc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C26H24N2O2/c1-18-6-10-20(11-7-18)26(30)27-15-14-23-22-4-2-3-5-24(22)28(25(23)17-27)16-19-8-12-21(29)13-9-19/h2-13,29H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8769 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 13 | 4-({9-[...) Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1)c1ccccc21 Show InChI InChI=1S/C25H21FN2O2/c26-19-9-5-17(6-10-19)15-28-23-4-2-1-3-21(23)22-13-14-27(16-24(22)28)25(30)18-7-11-20(29)12-8-18/h1-12,29H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8744 (1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-im...) Show SMILES Cc1ccc(Cn2cnc(c2)-c2ccsc2)cc1 Show InChI InChI=1S/C15H14N2S/c1-12-2-4-13(5-3-12)8-17-9-15(16-11-17)14-6-7-18-10-14/h2-7,9-11H,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8770 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 14 | 4-({9-[...) Show SMILES CS(=O)(=O)c1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C26H24N2O4S/c1-33(31,32)21-12-6-18(7-13-21)16-28-24-5-3-2-4-22(24)23-14-15-27(17-25(23)28)26(30)19-8-10-20(29)11-9-19/h2-13,29H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8739 (4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-...) Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(C)cc2)cn1 Show InChI InChI=1S/C18H18N2O/c1-14-3-5-15(6-4-14)11-20-12-18(19-13-20)16-7-9-17(21-2)10-8-16/h3-10,12-13H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8785 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 29 | 4-({2-...) Show SMILES COc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C26H24N2O3/c1-31-21-12-8-19(9-13-21)26(30)27-15-14-23-22-4-2-3-5-24(22)28(25(23)17-27)16-18-6-10-20(29)11-7-18/h2-13,29H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8766 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 11 | 4-({9-[...) Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1cccc(O)c1)c1ccccc21 Show InChI InChI=1S/C25H22N2O3/c28-19-10-8-18(9-11-19)25(30)26-13-12-22-21-6-1-2-7-23(21)27(24(22)16-26)15-17-4-3-5-20(29)14-17/h1-11,14,28-29H,12-13,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					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	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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8775 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 19 | 4-({2-...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H22N2O2/c28-20-12-10-18(11-13-20)16-27-23-9-5-4-8-21(23)22-14-15-26(17-24(22)27)25(29)19-6-2-1-3-7-19/h1-13,28H,14-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50112576 (2-(3-(3,4-dichlorobenzylamino)propylamino)quinolin...) Show SMILES Oc1cc(NCCCNCc2ccc(Cl)c(Cl)c2)nc2ccccc12 Show InChI InChI=1S/C19H19Cl2N3O/c20-15-7-6-13(10-16(15)21)12-22-8-3-9-23-19-11-18(25)14-4-1-2-5-17(14)24-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Methionyl-tRNA synthetase in a pyrophosphate exchange assay				J Med Chem 45: 1959-62 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z6X
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8777 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 21 | 4-({2-...) Show SMILES CCCCc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C29H30N2O2/c1-2-3-6-21-9-13-23(14-10-21)29(33)30-18-17-26-25-7-4-5-8-27(25)31(28(26)20-30)19-22-11-15-24(32)16-12-22/h4-5,7-16,32H,2-3,6,17-20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8768 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 12 | 4-({9-[...) Show SMILES Nc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C25H23N3O2/c26-19-9-5-17(6-10-19)15-28-23-4-2-1-3-21(23)22-13-14-27(16-24(22)28)25(30)18-7-11-20(29)12-8-18/h1-12,29H,13-16,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8783 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 27 | 2-({9-...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C25H22N2O3/c28-18-11-9-17(10-12-18)15-27-22-7-3-1-5-19(22)20-13-14-26(16-23(20)27)25(30)21-6-2-4-8-24(21)29/h1-12,28-29H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8774 (4-hydroxy-N-({1-[(4-hydroxyphenyl)methyl]-1H-indol...) Show SMILES CN(Cc1cc2ccccc2n1Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C24H22N2O3/c1-25(24(29)18-8-12-22(28)13-9-18)16-20-14-19-4-2-3-5-23(19)26(20)15-17-6-10-21(27)11-7-17/h2-14,27-28H,15-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8781 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 25 | 4-({2-...) Show SMILES Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C25H23N3O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					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	1.10E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					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	1.10E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8749 (1-benzyl-4-(4-methoxyphenyl)-1H-imidazole | Disubs...) Show SMILES COc1ccc(cc1)-c1cn(Cc2ccccc2)cn1 Show InChI InChI=1S/C17H16N2O/c1-20-16-9-7-15(8-10-16)17-12-19(13-18-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8748 (1-[(4-phenylphenyl)methyl]-4-(thiophen-3-yl)-1H-im...) Show SMILES C(c1ccc(cc1)-c1ccccc1)n1cnc(c1)-c1ccsc1 Show InChI InChI=1S/C20H16N2S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)12-22-13-20(21-15-22)19-10-11-23-14-19/h1-11,13-15H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8738 (1-[(4-methylphenyl)methyl]-4-(thiophen-2-yl)-1H-im...) Show SMILES Cc1ccc(Cn2cnc(c2)-c2cccs2)cc1 Show InChI InChI=1S/C15H14N2S/c1-12-4-6-13(7-5-12)9-17-10-14(16-11-17)15-3-2-8-18-15/h2-8,10-11H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.24E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8765 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 10 | 4-({9-b...) Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ccccc21 Show InChI InChI=1S/C25H22N2O2/c28-20-12-10-19(11-13-20)25(29)26-15-14-22-21-8-4-5-9-23(21)27(24(22)17-26)16-18-6-2-1-3-7-18/h1-13,28H,14-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8761 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 6 | 4-{1H,2H...) Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C18H16N2O2/c21-13-7-5-12(6-8-13)18(22)20-10-9-15-14-3-1-2-4-16(14)19-17(15)11-20/h1-8,19,21H,9-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8762 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 7 | 4-({9-me...) Show SMILES Cn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C19H18N2O2/c1-20-17-5-3-2-4-15(17)16-10-11-21(12-18(16)20)19(23)13-6-8-14(22)9-7-13/h2-9,22H,10-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8790 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 34 | 2,4-di...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cc(Cl)cc(Cl)c2O)cc1 Show InChI InChI=1S/C25H20Cl2N2O3/c26-16-11-20(24(31)21(27)12-16)25(32)28-10-9-19-18-3-1-2-4-22(18)29(23(19)14-28)13-15-5-7-17(30)8-6-15/h1-8,11-12,30-31H,9-10,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8779 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 23 | 4-({2-...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O2/c26-17-7-10-21(22(27)13-17)25(31)28-12-11-20-19-3-1-2-4-23(19)29(24(20)15-28)14-16-5-8-18(30)9-6-16/h1-10,13,30H,11-12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8742 (1-[(4-methoxyphenyl)methyl]-4-(thiophen-3-yl)-1H-i...) Show SMILES COc1ccc(Cn2cnc(c2)-c2ccsc2)cc1 Show InChI InChI=1S/C15H14N2OS/c1-18-14-4-2-12(3-5-14)8-17-9-15(16-11-17)13-6-7-19-10-13/h2-7,9-11H,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8780 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 24 | methyl...) Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C27H24N2O4/c1-33-27(32)20-10-8-19(9-11-20)26(31)28-15-14-23-22-4-2-3-5-24(22)29(25(23)17-28)16-18-6-12-21(30)13-7-18/h2-13,30H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8741 (4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}anil...) Show SMILES Nc1ccc(Cn2cnc(c2)-c2ccsc2)cc1 Show InChI InChI=1S/C14H13N3S/c15-13-3-1-11(2-4-13)7-17-8-14(16-10-17)12-5-6-18-9-12/h1-6,8-10H,7,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.03E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8782 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 26 | 4-[(2-...) Show SMILES CNc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C26H25N3O2/c1-27-20-10-8-19(9-11-20)26(31)28-15-14-23-22-4-2-3-5-24(22)29(25(23)17-28)16-18-6-12-21(30)13-7-18/h2-13,27,30H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8775 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 19 | 4-({2-...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H22N2O2/c28-20-12-10-18(11-13-20)16-27-23-9-5-4-8-21(23)22-14-15-26(17-24(22)27)25(29)19-6-2-1-3-7-19/h1-13,28H,14-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8760 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 5 | 2-benzoy...) Show SMILES O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1 Show InChI InChI=1S/C18H16N2O/c21-18(13-6-2-1-3-7-13)20-11-10-15-14-8-4-5-9-16(14)19-17(15)12-20/h1-9,19H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8791 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 35 | 4-({9-...) Show SMILES Cc1cc(cc(C)c1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C27H26N2O3/c1-17-13-20(14-18(2)26(17)31)27(32)28-12-11-23-22-5-3-4-6-24(22)29(25(23)16-28)15-19-7-9-21(30)10-8-19/h3-10,13-14,30-31H,11-12,15-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8789 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 33 | 2-chlo...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1 Show InChI InChI=1S/C25H21ClN2O3/c26-21-13-17(7-10-24(21)30)25(31)27-12-11-20-19-3-1-2-4-22(19)28(23(20)15-27)14-16-5-8-18(29)9-6-16/h1-10,13,29-30H,11-12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8784 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 28 | 3-({9-...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cccc(O)c2)cc1 Show InChI InChI=1S/C25H22N2O3/c28-19-10-8-17(9-11-19)15-27-23-7-2-1-6-21(23)22-12-13-26(16-24(22)27)25(30)18-4-3-5-20(29)14-18/h1-11,14,28-29H,12-13,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8739 (4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-...) Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(C)cc2)cn1 Show InChI InChI=1S/C18H18N2O/c1-14-3-5-15(6-4-14)11-20-12-18(19-13-20)16-7-9-17(21-2)10-8-16/h3-10,12-13H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.92E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8781 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 25 | 4-({2-...) Show SMILES Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C25H23N3O2/c26-19-9-7-18(8-10-19)25(30)27-14-13-22-21-3-1-2-4-23(21)28(24(22)16-27)15-17-5-11-20(29)12-6-17/h1-12,29H,13-16,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8750 (4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]...) Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(cc2)C(F)(F)F)cn1 Show InChI InChI=1S/C18H15F3N2O/c1-24-16-8-4-14(5-9-16)17-11-23(12-22-17)10-13-2-6-15(7-3-13)18(19,20)21/h2-9,11-12H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8767 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 3 | 4-({9-[(...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-13-14-26(16-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB 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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8769 (1,2,3,4-Tetrahydropyrido[3,4-b]indole 13 | 4-({9-[...) Show SMILES Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1)c1ccccc21 Show InChI InChI=1S/C25H21FN2O2/c26-19-9-5-17(6-10-19)15-28-23-4-2-1-3-21(23)22-13-14-27(16-24(22)28)25(30)18-7-11-20(29)12-8-18/h1-12,29H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid 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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8746 (1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-im...) Show SMILES Cc1cccc(Cn2cnc(c2)-c2ccsc2)c1 Show InChI InChI=1S/C15H14N2S/c1-12-3-2-4-13(7-12)8-17-9-15(16-11-17)14-5-6-18-10-14/h2-7,9-11H,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.24E+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...				Bioorg Med Chem Lett 11: 2061-5 (2001) Article DOI: 10.1016/s0960-894x(01)00404-8 BindingDB Entry DOI: 10.7270/Q28P5XQG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM8783 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 27 | 2-({9-...) Show SMILES Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C25H22N2O3/c28-18-11-9-17(10-12-18)15-27-22-7-3-1-5-19(22)20-13-14-26(16-23(20)27)25(30)21-6-2-4-8-24(21)29/h1-12,28-29H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
					More data for this Ligand-Target Pair

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