Compile Data Set for Download or QSAR

Found 17 hits of ki for UniProtKB: P07813   

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
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50458119 (Leusa) Show SMILES CC(C)C[C@H](N)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/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of Escherichia coli BL21(DE3) Leucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichi...				Eur J Med Chem 148: 384-396 (2018) Article DOI: 10.1016/j.ejmech.2018.02.013 BindingDB Entry DOI: 10.7270/Q2057JJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50458122 (CHEMBL4204314) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12 |r| Show InChI InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.654	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of Escherichia coli BL21(DE3) Leucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichi...				Eur J Med Chem 148: 384-396 (2018) Article DOI: 10.1016/j.ejmech.2018.02.013 BindingDB Entry DOI: 10.7270/Q2057JJS
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569962 (CHEMBL4864835) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CNC(=O)NCc3ccccc3)nn2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569952 (CHEMBL4869028) Show SMILES CCCCCc1ccc(cc1)-c1cn(CCC[C@@H]2CO[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](O)[C@H]2O)nn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50524359 (CHEMBL4465674) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O |r| Show InChI InChI=1S/C15H25N5O8S/c1-7(2)5-8(16)13(23)19-29(25,26)27-6-9-11(21)12(22)14(28-9)20-4-3-10(17)18-15(20)24/h3-4,7-9,11-12,14,21-22H,5-6,16H2,1-2H3,(H,19,23)(H2,17,18,24)/t8-,9+,11+,12+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of purified Escherichia coli BL21 (DE3) leuRS incubated for 10 mins in presence of 14C-labeled leucine by radiolabel transfer assay				Eur J Med Chem 173: 154-166 (2019) Article DOI: 10.1016/j.ejmech.2019.04.003 BindingDB Entry DOI: 10.7270/Q27M0CCG
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569957 (CHEMBL4864965) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(nn2)-c2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50524355 (CHEMBL4467328) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H24N4O9S/c1-7(2)5-8(16)13(23)18-29(25,26)27-6-9-11(21)12(22)14(28-9)19-4-3-10(20)17-15(19)24/h3-4,7-9,11-12,14,21-22H,5-6,16H2,1-2H3,(H,18,23)(H,17,20,24)/t8-,9+,11+,12+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of purified Escherichia coli BL21 (DE3) leuRS incubated for 10 mins in presence of 14C-labeled leucine by radiolabel transfer assay				Eur J Med Chem 173: 154-166 (2019) Article DOI: 10.1016/j.ejmech.2019.04.003 BindingDB Entry DOI: 10.7270/Q27M0CCG
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50524361 (CHEMBL4451258) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)n(C)c1=O |r| Show InChI InChI=1S/C16H26N4O9S/c1-8(2)6-9(17)14(24)18-30(26,27)28-7-10-12(22)13(23)15(29-10)20-5-4-11(21)19(3)16(20)25/h4-5,8-10,12-13,15,22-23H,6-7,17H2,1-3H3,(H,18,24)/t9-,10+,12+,13+,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of purified Escherichia coli BL21 (DE3) leuRS incubated for 10 mins in presence of 14C-labeled leucine by radiolabel transfer assay				Eur J Med Chem 173: 154-166 (2019) Article DOI: 10.1016/j.ejmech.2019.04.003 BindingDB Entry DOI: 10.7270/Q27M0CCG
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569963 (CHEMBL4855635) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](CCn2nnc(n2)-c2ccccc2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569960 (CHEMBL4852287) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CNC(=O)c3ccccc3)nn2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569958 (CHEMBL4864716) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(nn2)-c2cccnc2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569954 (CHEMBL4867227) Show SMILES CCCCCCCCc1cn(CCC[C@@H]2CO[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](O)[C@H]2O)nn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569955 (CHEMBL4876966) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CCc3ccccc3)nn2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569961 (CHEMBL4861722) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(nn2)-c2ccccc2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569956 (CHEMBL4850408) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CCCCO)nn2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569959 (CHEMBL4871282) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CNCc3ccccc3)nn2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair
Leucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50569953 (CHEMBL4871079) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CN)nn2)[C@H](O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113021 BindingDB Entry DOI: 10.7270/Q2MC93SZ
					More data for this Ligand-Target Pair