Compile Data Set for Download or QSAR

Found 13 hits of ic50 for UniProtKB: P07395   

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
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231666 (N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...) Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231665 (1-(3-(4-(Pyridin-2-yl)piperazin-1-ylsulfonyl)pheny...) Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231670 (5-(3-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol...) Show SMILES COc1cccc(c1)-c1cc(n[nH]1)C(F)(F)F Show InChI InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231674 (N-(2-(1-(methylsulfonyl)cyclopropyl)ethyl)-2-(3-(5...) Show SMILES CS(=O)(=O)C1(CCNC(=O)COc2cccc(c2)-c2cc([nH]n2)C(F)(F)F)CC1 Show InChI InChI=1S/C18H20F3N3O4S/c1-29(26,27)17(5-6-17)7-8-22-16(25)11-28-13-4-2-3-12(9-13)14-10-15(24-23-14)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231671 (Ethyl 2-(3-(5-(trifluoromethyl)-1H-pyrazol-3-yl)ph...) Show SMILES CCOC(=O)COc1cccc(c1)-c1cc([nH]n1)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O3/c1-2-21-13(20)8-22-10-5-3-4-9(6-10)11-7-12(19-18-11)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231676 (2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazol...) Show SMILES Clc1ccc(OCc2nc(cs2)C(=O)NCC#N)cc1 Show InChI InChI=1S/C13H10ClN3O2S/c14-9-1-3-10(4-2-9)19-7-12-17-11(8-20-12)13(18)16-6-5-15/h1-4,8H,6-7H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231669 (2-[3-[(4-Chloro-2-pyridyl)amino]phenoxy]-N-(1,1-di...) Show SMILES Clc1ccnc(Nc2cccc(OCC(=O)NC3CCS(=O)(=O)C3)c2)c1 Show InChI InChI=1S/C17H18ClN3O4S/c18-12-4-6-19-16(8-12)20-13-2-1-3-15(9-13)25-10-17(22)21-14-5-7-26(23,24)11-14/h1-4,6,8-9,14H,5,7,10-11H2,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231677 (2-((4-Chlorophenoxy)methyl)-N-(2-sulfamoylethyl)th...) Show SMILES NS(=O)(=O)CCNC(=O)c1csc(COc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C13H14ClN3O4S2/c14-9-1-3-10(4-2-9)21-7-12-17-11(8-22-12)13(18)16-5-6-23(15,19)20/h1-4,8H,5-7H2,(H,16,18)(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231668 (2-(3-(4-Cyanopyridin-2-ylamino)phenoxy)-N-methylac...) Show SMILES CNC(=O)COc1cccc(Nc2cc(ccn2)C#N)c1 Show InChI InChI=1S/C15H14N4O2/c1-17-15(20)10-21-13-4-2-3-12(8-13)19-14-7-11(9-16)5-6-18-14/h2-8H,10H2,1H3,(H,17,20)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231672 (Ethyl 2-(3-(3-(difluoromethyl)-1H-pyrazol-5-yl)phe...) Show SMILES CCOC(=O)COc1cccc(c1)-c1cc(n[nH]1)C(F)F Show InChI InChI=1S/C14H14F2N2O3/c1-2-20-13(19)8-21-10-5-3-4-9(6-10)11-7-12(14(15)16)18-17-11/h3-7,14H,2,8H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231667 (2-(3-(4-Chloropyridin-2-ylamino)phenoxy)-N-methyla...) Show SMILES CNC(=O)COc1cccc(Nc2cc(Cl)ccn2)c1 Show InChI InChI=1S/C14H14ClN3O2/c1-16-14(19)9-20-12-4-2-3-11(8-12)18-13-7-10(15)5-6-17-13/h2-8H,9H2,1H3,(H,16,19)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231675 (N-(1,1-dioxothiolan-3-yl)-2-[(4-methylphenoxy)meth...) Show SMILES Cc1ccc(OCc2nc(cs2)C(=O)NC2CCS(=O)(=O)C2)cc1 Show InChI InChI=1S/C16H18N2O4S2/c1-11-2-4-13(5-3-11)22-8-15-18-14(9-23-15)16(19)17-12-6-7-24(20,21)10-12/h2-5,9,12H,6-8,10H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair
Phenylalanine--tRNA ligase alpha/beta subunit (Escherichia coli (Enterobacteria))	BDBM231673 (2-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazo...) Show SMILES COc1cccc(c1)-c1ncc([nH]1)C(F)(F)F Show InChI InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)10-15-6-9(16-10)11(12,13)14/h2-6H,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	8.0	n/a
AstraZeneca R&D Boston					Assay Description Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...				J Biol Chem 289: 21651-62 (2014) Article DOI: 10.1074/jbc.M114.574061 BindingDB Entry DOI: 10.7270/Q2BG2MVZ
					More data for this Ligand-Target Pair