Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'slayden' and Initial = 'ra'   

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 [NADH] (Francisella tularensis)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0510	-58.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36543 (5-propyl-2-phenoxyphenol | PT02) Show SMILES CCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.440	-53.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223192 (PT444) Show SMILES CCc1ccc(Oc2ccccc2C#N)c(O)c1 Show InChI InChI=1S/C15H13NO2/c1-2-11-7-8-15(13(17)9-11)18-14-6-4-3-5-12(14)10-16/h3-9,17H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.510	-53.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16300 (INH-NAD Adduct | ISONICOTINIC-ACETYL-NICOTINAMIDE-...) Show SMILES NC(=O)C1=CN(C=C[C@@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3| Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15+,16+,19+,20+,21+,22+,26+,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.75	-51.6	n/a	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373348 (CHEMBL264434 | PT13) Show SMILES CCCCCCc1ccc(Oc2ccccc2N)c(O)c1 Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37RV InhA				Bioorg Med Chem Lett 18: 3029-33 (2008) Article DOI: 10.1016/j.bmcl.2008.04.038 BindingDB Entry DOI: 10.7270/Q2SB46KT
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM97444 (PT443) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1C#N Show InChI InChI=1S/C13H8BrNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373347 (CHEMBL264175 | PT15) Show SMILES CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1 Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)21-16-10-8-15(19)9-11-16/h7-13,20H,2-6,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37RV InhA				Bioorg Med Chem Lett 18: 3029-33 (2008) Article DOI: 10.1016/j.bmcl.2008.04.038 BindingDB Entry DOI: 10.7270/Q2SB46KT
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) Show SMILES CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.10	-50.6	n/a	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16296 (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...) Show SMILES CCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM231620 (CG400549 | US10071965, Compound CG400549) Show SMILES Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O Show InChI InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	-49.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36542 (5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...) Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	-49.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190654 (PT173) Show SMILES CCCCCCc1ccn(Cc2cccc(N)c2C)c(=O)c1 Show InChI InChI=1S/C19H26N2O/c1-3-4-5-6-8-16-11-12-21(19(22)13-16)14-17-9-7-10-18(20)15(17)2/h7,9-13H,3-6,8,14,20H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.10	-49.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190661 (PT166) Show SMILES CCCCCCc1cc(=O)c(Oc2ccccc2C)cn1C Show InChI InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223186 (PT406) Show SMILES CCc1cc(O)c(Oc2ccccc2Cl)cc1F Show InChI InChI=1S/C14H12ClFO2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM50399411 (CHEMBL2178304 | PT405) Show SMILES CCc1cc(O)c(Oc2ccccc2F)cc1F Show InChI InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM190661 (PT166) Show SMILES CCCCCCc1cc(=O)c(Oc2ccccc2C)cn1C Show InChI InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36540 (5-bromo-2-phenoxylphenol | PT103) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9BrO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10	-46.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.40	-45.4	n/a	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM231623 (PT159) Show SMILES CCCCCCc1cc(=O)c(Cc2ccccc2C#N)cn1C Show InChI InChI=1S/C20H24N2O/c1-3-4-5-6-11-19-13-20(23)18(15-22(19)2)12-16-9-7-8-10-17(16)14-21/h7-10,13,15H,3-6,11-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190653 (PT172) Show SMILES CCCCCCc1ccn(Cc2ccccc2Cl)c(=O)c1 Show InChI InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16296 (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...) Show SMILES CCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	11.8	-44.8	n/a	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190652 (LOX inhibitor, 13 | PT171) Show SMILES CCCCCCc1ccn(Cc2ccccc2C)c(=O)c1 Show InChI InChI=1S/C23H24ClN3O2/c1-17(28)26-11-13-27(14-12-26)21-7-5-20(6-8-21)25-16-22-9-10-23(29-22)18-3-2-4-19(24)15-18/h2-10,15,25H,11-14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM97445 (PT119) Show SMILES CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1 Show InChI InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	15	-44.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190655 (PT179) Show SMILES CCCCCCc1ccn(Cc2ccccc2)c(=O)c1 Show InChI InChI=1S/C18H23NO/c1-2-3-4-6-9-16-12-13-19(18(20)14-16)15-17-10-7-5-8-11-17/h5,7-8,10-14H,2-4,6,9,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) Show SMILES CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	23.6	-43.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM190650 (LOX inhibitor, MLS000545091 | PT91) Show SMILES CCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1 Show InChI InChI=1S/C14H15ClN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h6-10H,1-5H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	25	-43.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM231621 (PT420) Show SMILES CCCCCc1ccn(Cc2ccccc2C#N)c(=O)c1 Show InChI InChI=1S/C18H20N2O/c1-2-3-4-7-15-10-11-20(18(21)12-15)14-17-9-6-5-8-16(17)13-19/h5-6,8-12H,2-4,7,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29.6	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16299 (14PP | 2-phenoxy-5-tetradecylphenol) Show SMILES CCCCCCCCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(25(27)22-23)28-24-18-15-13-16-19-24/h13,15-16,18-22,27H,2-12,14,17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30.3	-42.5	n/a	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM50399412 (CHEMBL2178303 | PT411) Show SMILES CCc1cc(O)c(Oc2ccccc2)cc1F Show InChI InChI=1S/C14H13FO2/c1-2-10-8-13(16)14(9-12(10)15)17-11-6-4-3-5-7-11/h3-9,16H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	-42.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223189 (PT403) Show SMILES CCc1cc(O)c(Oc2ccc(N)cc2Cl)cc1F Show InChI InChI=1S/C14H13ClFNO2/c1-2-8-5-12(18)14(7-11(8)16)19-13-4-3-9(17)6-10(13)15/h3-7,18H,2,17H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	-42.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	32	-42.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	32	-42.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223193 (PT409) Show SMILES CCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C14H13NO4/c1-2-10-7-8-14(12(16)9-10)19-13-6-4-3-5-11(13)15(17)18/h3-9,16H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	-42.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM50443007 (CHEMBL1236225 | PT70) Show SMILES CCCCCCc1ccc(Oc2ccccc2C)c(O)c1 Show InChI InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	48	-41.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382338 (CHEMBL2024344) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223191 (PT408) Show SMILES CCc1cc(O)c(Oc2cccnc2C)cc1F Show InChI InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	55	-41.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223195 (PT401) Show SMILES CCCCCCc1cc(O)c(Oc2ccccc2C)cc1F Show InChI InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	55	-41.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223187 (PT412) Show SMILES CCc1cc(O)c(Oc2ccccc2[N+]([O-])=O)cc1F Show InChI InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	58	-41.3	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM231620 (CG400549 | US10071965, Compound CG400549) Show SMILES Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O Show InChI InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	81.9	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM190652 (LOX inhibitor, 13 | PT171) Show SMILES CCCCCCc1ccn(Cc2ccccc2C)c(=O)c1 Show InChI InChI=1S/C23H24ClN3O2/c1-17(28)26-11-13-27(14-12-26)21-7-5-20(6-8-21)25-16-22-9-10-23(29-22)18-3-2-4-19(24)15-18/h2-10,15,25H,11-14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	95.7	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382339 (CHEMBL2024338) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM190651 (LOX inhibitor, 5 | PT113) Show SMILES CCCCCCc1ccc(Oc2ccccc2F)c(O)c1 Show InChI InChI=1S/C18H21FO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	-39.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223196 (PT417) Show SMILES CCCCCCc1cc(O)c(Oc2ccccc2Cl)cc1F Show InChI InChI=1S/C18H20ClFO2/c1-2-3-4-5-8-13-11-16(21)18(12-15(13)20)22-17-10-7-6-9-14(17)19/h6-7,9-12,21H,2-5,8H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	-39.3	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	138	-39.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM36540 (5-bromo-2-phenoxylphenol | PT103) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9BrO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	149	-39.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223190 (PT404) Show SMILES CCc1cc(O)c(Oc2ccc(cc2Cl)[N+]([O-])=O)cc1F Show InChI InChI=1S/C14H11ClFNO4/c1-2-8-5-12(18)14(7-11(8)16)21-13-4-3-9(17(19)20)6-10(13)15/h3-7,18H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	153	-38.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM223188 (PT407) Show SMILES CCc1cc(O)c(Oc2ccc(cc2)[N+]([O-])=O)cc1F Show InChI InChI=1S/C14H12FNO4/c1-2-9-7-13(17)14(8-12(9)15)20-11-5-3-10(4-6-11)16(18)19/h3-8,17H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	156	-38.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair

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