Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 7350   

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] (Yersinia pestis (Enterobacteria))	BDBM50373349 (CHEMBL264417 | PT12) Show SMILES CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	100	-40.0	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190659 (PT156) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(cc2)[N+]([O-])=O)cn1C Show InChI InChI=1S/C18H22N2O4/c1-3-4-5-6-7-15-12-17(21)18(13-19(15)2)24-16-10-8-14(9-11-16)20(22)23/h8-13H,3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM190659 (PT156) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(cc2)[N+]([O-])=O)cn1C Show InChI InChI=1S/C18H22N2O4/c1-3-4-5-6-7-15-12-17(21)18(13-19(15)2)24-16-10-8-14(9-11-16)20(22)23/h8-13H,3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	-36.0	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM190656 (PT424) Show SMILES CCCCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)c(=O)c1 Show InChI InChI=1S/C18H22N2O3/c1-2-3-4-5-6-15-11-12-19(18(21)13-15)14-16-7-9-17(10-8-16)20(22)23/h7-13H,2-6,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	-31.5	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM50373349 (CHEMBL264417 | PT12) Show SMILES CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.00E+3	-30.8	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190656 (PT424) Show SMILES CCCCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)c(=O)c1 Show InChI InChI=1S/C18H22N2O3/c1-2-3-4-5-6-15-11-12-19(18(21)13-15)14-16-7-9-17(10-8-16)20(22)23/h7-13H,2-6,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	-29.1	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM50373349 (CHEMBL264417 | PT12) Show SMILES CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.00E+3	-29.1	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190656 (PT424) Show SMILES CCCCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)c(=O)c1 Show InChI InChI=1S/C18H22N2O3/c1-2-3-4-5-6-15-11-12-19(18(21)13-15)14-16-7-9-17(10-8-16)20(22)23/h7-13H,2-6,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	-27.4	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Würzburg					Assay Description Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 °C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190660 (PT157) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(N)cc2)cn1C Show InChI InChI=1S/C18H24N2O2/c1-3-4-5-6-7-15-12-17(21)18(13-20(15)2)22-16-10-8-14(19)9-11-16/h8-13H,3-7,19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM50373349 (CHEMBL264417 | PT12) Show SMILES CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190659 (PT156) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(cc2)[N+]([O-])=O)cn1C Show InChI InChI=1S/C18H22N2O4/c1-3-4-5-6-7-15-12-17(21)18(13-19(15)2)24-16-10-8-14(9-11-16)20(22)23/h8-13H,3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM190660 (PT157) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(N)cc2)cn1C Show InChI InChI=1S/C18H24N2O2/c1-3-4-5-6-7-15-12-17(21)18(13-20(15)2)22-16-10-8-14(19)9-11-16/h8-13H,3-7,19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM50373355 (CHEMBL264415 | PT10) Show SMILES CCCCCCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)23-17-10-7-6-9-15(17)19(21)22/h6-7,9-13,20H,2-5,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM190659 (PT156) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(cc2)[N+]([O-])=O)cn1C Show InChI InChI=1S/C18H22N2O4/c1-3-4-5-6-7-15-12-17(21)18(13-19(15)2)24-16-10-8-14(9-11-16)20(22)23/h8-13H,3-7H2,1-2H3	PDB UniProtKB/SwissProt 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	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM190658 (PT155) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(N)cc2C)cn1C Show InChI InChI=1S/C19H26N2O2/c1-4-5-6-7-8-16-12-17(22)19(13-21(16)3)23-18-10-9-15(20)11-14(18)2/h9-13H,4-8,20H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM190656 (PT424) Show SMILES CCCCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)c(=O)c1 Show InChI InChI=1S/C18H22N2O3/c1-2-3-4-5-6-15-11-12-19(18(21)13-15)14-16-7-9-17(10-8-16)20(22)23/h7-13H,2-6,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM50373349 (CHEMBL264417 | PT12) Show SMILES CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM190657 (PT425) Show SMILES CCCCCCc1ccn(Cc2ccc(N)cc2)c(=O)c1 Show InChI InChI=1S/C18H24N2O/c1-2-3-4-5-6-15-11-12-20(18(21)13-15)14-16-7-9-17(19)10-8-16/h7-13H,2-6,14,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190656 (PT424) Show SMILES CCCCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)c(=O)c1 Show InChI InChI=1S/C18H22N2O3/c1-2-3-4-5-6-15-11-12-19(18(21)13-15)14-16-7-9-17(10-8-16)20(22)23/h7-13H,2-6,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190657 (PT425) Show SMILES CCCCCCc1ccn(Cc2ccc(N)cc2)c(=O)c1 Show InChI InChI=1S/C18H24N2O/c1-2-3-4-5-6-15-11-12-20(18(21)13-15)14-16-7-9-17(19)10-8-16/h7-13H,2-6,14,19H2,1H3	PDB UniProtKB/SwissProt 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	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM190658 (PT155) Show SMILES CCCCCCc1cc(=O)c(Oc2ccc(N)cc2C)cn1C Show InChI InChI=1S/C19H26N2O2/c1-4-5-6-7-8-16-12-17(22)19(13-21(16)3)23-18-10-9-15(20)11-14(18)2/h9-13H,4-8,20H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	BDBM50373355 (CHEMBL264415 | PT10) Show SMILES CCCCCCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)23-17-10-7-6-9-15(17)19(21)22/h6-7,9-13,20H,2-5,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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 UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S] (Yersinia pestis (Enterobacteria))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair

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