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SMILES: CCCCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)c(=O)c1

InChI Key: InChIKey=YXOWGYFGAJGWBJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 190656   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	-7.53	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	-6.95	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	-6.54	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	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))	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