Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50040410   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393794 (CHEMBL2159537) Show SMILES Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cccs2)c1 Show InChI InChI=1S/C15H17Cl2N3OS/c16-12-7-11(8-13(17)9-12)10-18-4-2-5-19-15(21)20-14-3-1-6-22-14/h1,3,6-9,18H,2,4-5,10H2,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393798 (CHEMBL2159525) Show SMILES Oc1ccccc1NC(=O)NCCCNCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H19Cl2N3O2/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17(24)22-15-4-1-2-5-16(15)23/h1-2,4-5,8-10,20,23H,3,6-7,11H2,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393793 (CHEMBL2159527) Show SMILES Fc1cccc(NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C17H18Cl2FN3O/c18-13-7-12(8-14(19)9-13)11-21-5-2-6-22-17(24)23-16-4-1-3-15(20)10-16/h1,3-4,7-10,21H,2,5-6,11H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393797 (CHEMBL2159535) Show SMILES Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccsc2)c1 Show InChI InChI=1S/C15H17Cl2N3OS/c16-12-6-11(7-13(17)8-12)9-18-3-1-4-19-15(21)20-14-2-5-22-10-14/h2,5-8,10,18H,1,3-4,9H2,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393799 (CHEMBL2159526) Show SMILES Oc1cccc(NC(=O)NCCCNCc2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C17H19Cl2N3O2/c18-13-7-12(8-14(19)9-13)11-20-5-2-6-21-17(24)22-15-3-1-4-16(23)10-15/h1,3-4,7-10,20,23H,2,5-6,11H2,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393800 (CHEMBL2159536) Show SMILES COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccsc2)c1 Show InChI InChI=1S/C16H20ClN3O2S/c1-22-15-8-12(7-13(17)9-15)10-18-4-2-5-19-16(21)20-14-3-6-23-11-14/h3,6-9,11,18H,2,4-5,10H2,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393796 (CHEMBL2159513) Show SMILES COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C18H22ClN3O2/c1-24-17-11-14(10-15(19)12-17)13-20-8-5-9-21-18(23)22-16-6-3-2-4-7-16/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50393795 (CHEMBL2159512) Show SMILES Clc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C17H19Cl2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair