Compile Data Set for Download or QSAR

Found 16 hits of ic50 for UniProtKB: P49591   

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
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530864 (CHEMBL4467050) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(I)nc12 |r| Show InChI InChI=1S/C13H18IN7O8S/c14-13-18-9(16)6-10(19-13)21(3-17-6)12-8(24)7(23)5(29-12)2-28-30(26,27)20-11(25)4(15)1-22/h3-5,7-8,12,22-24H,1-2,15H2,(H,20,25)(H2,16,18,19)/t4-,5+,7+,8+,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530864 (CHEMBL4467050) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(I)nc12 |r| Show InChI InChI=1S/C13H18IN7O8S/c14-13-18-9(16)6-10(19-13)21(3-17-6)12-8(24)7(23)5(29-12)2-28-30(26,27)20-11(25)4(15)1-22/h3-5,7-8,12,22-24H,1-2,15H2,(H,20,25)(H2,16,18,19)/t4-,5+,7+,8+,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530866 (CHEMBL4529844) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C13H18ClN7O8S/c14-13-18-9(16)6-10(19-13)21(3-17-6)12-8(24)7(23)5(29-12)2-28-30(26,27)20-11(25)4(15)1-22/h3-5,7-8,12,22-24H,1-2,15H2,(H,20,25)(H2,16,18,19)/t4-,5+,7+,8+,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530866 (CHEMBL4529844) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C13H18ClN7O8S/c14-13-18-9(16)6-10(19-13)21(3-17-6)12-8(24)7(23)5(29-12)2-28-30(26,27)20-11(25)4(15)1-22/h3-5,7-8,12,22-24H,1-2,15H2,(H,20,25)(H2,16,18,19)/t4-,5+,7+,8+,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530862 (CHEMBL4446951) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccsc1 |r| Show InChI InChI=1S/C17H21N7O8S2/c18-8(3-25)16(28)23-34(29,30)31-4-9-11(26)12(27)17(32-9)24-6-20-10-13(19)21-14(22-15(10)24)7-1-2-33-5-7/h1-2,5-6,8-9,11-12,17,25-27H,3-4,18H2,(H,23,28)(H2,19,21,22)/t8-,9+,11+,12+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530861 (CHEMBL4452350) Show SMILES C\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H23N7O8S/c1-2-3-9-20-13(18)10-14(21-9)23(6-19-10)16-12(26)11(25)8(31-16)5-30-32(28,29)22-15(27)7(17)4-24/h2-3,6-8,11-12,16,24-26H,4-5,17H2,1H3,(H,22,27)(H2,18,20,21)/b3-2+/t7-,8+,11+,12+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530859 (CHEMBL4561900) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r| Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530863 (CHEMBL4449289) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccco1 |r| Show InChI InChI=1S/C17H21N7O9S/c18-7(4-25)16(28)23-34(29,30)32-5-9-11(26)12(27)17(33-9)24-6-20-10-13(19)21-14(22-15(10)24)8-2-1-3-31-8/h1-3,6-7,9,11-12,17,25-27H,4-5,18H2,(H,23,28)(H2,19,21,22)/t7-,9+,11+,12+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530860 (CHEMBL4461782) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H23N7O8S/c20-10(6-27)18(30)25-35(31,32)33-7-11-13(28)14(29)19(34-11)26-8-22-12-15(21)23-16(24-17(12)26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,19,27-29H,6-7,20H2,(H,25,30)(H2,21,23,24)/t10-,11+,13+,14+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530863 (CHEMBL4449289) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccco1 |r| Show InChI InChI=1S/C17H21N7O9S/c18-7(4-25)16(28)23-34(29,30)32-5-9-11(26)12(27)17(33-9)24-6-20-10-13(19)21-14(22-15(10)24)8-2-1-3-31-8/h1-3,6-7,9,11-12,17,25-27H,4-5,18H2,(H,23,28)(H2,19,21,22)/t7-,9+,11+,12+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530860 (CHEMBL4461782) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H23N7O8S/c20-10(6-27)18(30)25-35(31,32)33-7-11-13(28)14(29)19(34-11)26-8-22-12-15(21)23-16(24-17(12)26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,19,27-29H,6-7,20H2,(H,25,30)(H2,21,23,24)/t10-,11+,13+,14+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530862 (CHEMBL4446951) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccsc1 |r| Show InChI InChI=1S/C17H21N7O8S2/c18-8(3-25)16(28)23-34(29,30)31-4-9-11(26)12(27)17(32-9)24-6-20-10-13(19)21-14(22-15(10)24)7-1-2-33-5-7/h1-2,5-6,8-9,11-12,17,25-27H,3-4,18H2,(H,23,28)(H2,19,21,22)/t8-,9+,11+,12+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530859 (CHEMBL4561900) Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r| Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic (Homo sapiens)	BDBM50530861 (CHEMBL4452350) Show SMILES C\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H23N7O8S/c1-2-3-9-20-13(18)10-14(21-9)23(6-19-10)16-12(26)11(25)8(31-16)5-30-32(28,29)22-15(27)7(17)4-24/h2-3,6-8,11-12,16,24-26H,4-5,17H2,1H3,(H,22,27)(H2,18,20,21)/b3-2+/t7-,8+,11+,12+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...				J Med Chem 62: 9703-9717 (2019) Article DOI: 10.1021/acs.jmedchem.9b01131 BindingDB Entry DOI: 10.7270/Q2GX4G11
					More data for this Ligand-Target Pair