Compile Data Set for Download or QSAR
Found 177 Enz. Inhib. hit(s) with Target = 'Leucine--tRNA ligase'
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50458119(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
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
Affinity DataKi:  0.139nMAssay Description:Inhibition of Escherichia coli BL21(DE3) Leucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichi...More data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50458122(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
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
Affinity DataKi:  0.654nMAssay Description:Inhibition of Escherichia coli BL21(DE3) Leucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569962(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
Show InChI InChI=1S/C26H41N7O8S/c1-17(2)11-21(27)25(36)31-42(38,39)41-16-22-24(35)23(34)19(15-40-22)9-6-10-33-14-20(30-32-33)13-29-26(37)28-12-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,34-35H,6,9-13,15-16,27H2,1-2H3,(H,31,36)(H2,28,29,37)/t19-,21+,22-,23+,24-/m1/s1
Affinity DataKi:  2.5nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569952(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
Show InChI InChI=1S/C28H45N5O7S/c1-4-5-6-8-20-10-12-21(13-11-20)24-16-33(32-30-24)14-7-9-22-17-39-25(27(35)26(22)34)18-40-41(37,38)31-28(36)23(29)15-19(2)3/h10-13,16,19,22-23,25-27,34-35H,4-9,14-15,17-18,29H2,1-3H3,(H,31,36)/t22-,23+,25-,26+,27-/m1/s1
Affinity DataKi:  5.5nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50524359(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
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
Affinity DataKi:  9.80nMAssay Description:Inhibition of purified Escherichia coli BL21 (DE3) leuRS incubated for 10 mins in presence of 14C-labeled leucine by radiolabel transfer assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569957(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
Show InChI InChI=1S/C24H34F3N5O8S/c1-14(2)10-18(28)23(35)30-41(36,37)39-13-20-22(34)21(33)16(12-38-20)4-3-9-32-11-19(29-31-32)15-5-7-17(8-6-15)40-24(25,26)27/h5-8,11,14,16,18,20-22,33-34H,3-4,9-10,12-13,28H2,1-2H3,(H,30,35)/t16-,18+,20-,21+,22-/m1/s1
Affinity DataKi:  18nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50524355(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
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
Affinity DataKi:  21nMAssay Description:Inhibition of purified Escherichia coli BL21 (DE3) leuRS incubated for 10 mins in presence of 14C-labeled leucine by radiolabel transfer assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50524361(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
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
Affinity DataKi:  30nMAssay Description:Inhibition of purified Escherichia coli BL21 (DE3) leuRS incubated for 10 mins in presence of 14C-labeled leucine by radiolabel transfer assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569963(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
Show InChI InChI=1S/C20H30N6O7S/c1-12(2)10-14(21)20(29)24-34(30,31)32-11-16-18(28)17(27)15(33-16)8-9-26-23-19(22-25-26)13-6-4-3-5-7-13/h3-7,12,14-18,27-28H,8-11,21H2,1-2H3,(H,24,29)/t14-,15-,16+,17-,18+/m0/s1
Affinity DataKi:  31nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569960(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
Show InChI InChI=1S/C25H38N6O8S/c1-16(2)11-20(26)25(35)29-40(36,37)39-15-21-23(33)22(32)18(14-38-21)9-6-10-31-13-19(28-30-31)12-27-24(34)17-7-4-3-5-8-17/h3-5,7-8,13,16,18,20-23,32-33H,6,9-12,14-15,26H2,1-2H3,(H,27,34)(H,29,35)/t18-,20+,21-,22+,23-/m1/s1
Affinity DataKi:  31nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569958(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
Show InChI InChI=1S/C22H34N6O7S/c1-14(2)9-17(23)22(31)26-36(32,33)35-13-19-21(30)20(29)16(12-34-19)6-4-8-28-11-18(25-27-28)15-5-3-7-24-10-15/h3,5,7,10-11,14,16-17,19-21,29-30H,4,6,8-9,12-13,23H2,1-2H3,(H,26,31)/t16-,17+,19-,20+,21-/m1/s1
Affinity DataKi:  32nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569954(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
Show InChI InChI=1S/C25H47N5O7S/c1-4-5-6-7-8-9-12-20-15-30(29-27-20)13-10-11-19-16-36-22(24(32)23(19)31)17-37-38(34,35)28-25(33)21(26)14-18(2)3/h15,18-19,21-24,31-32H,4-14,16-17,26H2,1-3H3,(H,28,33)/t19-,21+,22-,23+,24-/m1/s1
Affinity DataKi:  52nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569955(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
Show InChI InChI=1S/C25H39N5O7S/c1-17(2)13-21(26)25(33)28-38(34,35)37-16-22-24(32)23(31)19(15-36-22)9-6-12-30-14-20(27-29-30)11-10-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,31-32H,6,9-13,15-16,26H2,1-2H3,(H,28,33)/t19-,21+,22-,23+,24-/m1/s1
Affinity DataKi:  108nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569961(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
Show InChI InChI=1S/C23H35N5O7S/c1-15(2)11-18(24)23(31)26-36(32,33)35-14-20-22(30)21(29)17(13-34-20)9-6-10-28-12-19(25-27-28)16-7-4-3-5-8-16/h3-5,7-8,12,15,17-18,20-22,29-30H,6,9-11,13-14,24H2,1-2H3,(H,26,31)/t17-,18+,20-,21+,22-/m1/s1
Affinity DataKi:  182nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569956(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
Show InChI InChI=1S/C21H39N5O8S/c1-14(2)10-17(22)21(30)24-35(31,32)34-13-18-20(29)19(28)15(12-33-18)6-5-8-26-11-16(23-25-26)7-3-4-9-27/h11,14-15,17-20,27-29H,3-10,12-13,22H2,1-2H3,(H,24,30)/t15-,17+,18-,19+,20-/m1/s1
Affinity DataKi:  388nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569959(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
Show InChI InChI=1S/C25H40N6O7S/c1-17(2)11-21(26)25(34)29-39(35,36)38-16-22-24(33)23(32)19(15-37-22)9-6-10-31-14-20(28-30-31)13-27-12-18-7-4-3-5-8-18/h3-5,7-8,14,17,19,21-24,27,32-33H,6,9-13,15-16,26H2,1-2H3,(H,29,34)/t19-,21+,22-,23+,24-/m1/s1
Affinity DataKi:  1.26E+3nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase, cytoplasmic(Saccharomyces cerevisiae S288c)
Anacor Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50370987(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
Affinity DataKi:  1.85E+3nMAssay Description:Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 minsMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50569953(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
Show InChI InChI=1S/C18H34N6O7S/c1-11(2)6-14(20)18(27)22-32(28,29)31-10-15-17(26)16(25)12(9-30-15)4-3-5-24-8-13(7-19)21-23-24/h8,11-12,14-17,25-26H,3-7,9-10,19-20H2,1-2H3,(H,22,27)/t12-,14+,15-,16+,17-/m1/s1
Affinity DataKi:  2.97E+3nMAssay Description:Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLeucine--tRNA ligase, cytoplasmic(Saccharomyces cerevisiae S288c)
Anacor Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50370987(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
Affinity DataKi:  3.14E+4nMAssay Description:Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 2 minsMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Staphylococcus aureus (strain NCTC 8325))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286768(CHEMBL4171458)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H20N2O3S/c1-11(2)9-15(17)16(19)18-22(20,21)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286772(CHEMBL4160841)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H18N2O3S/c1-9(2)8-11(13)12(15)14-18(16,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
Affinity DataIC50: 1.10nMAssay Description:Inhibition of human LeuRS assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286774(CHEMBL4163140)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C17H21N3O3S/c1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13/h3-9,11-12,16H,10,18H2,1-2H3,(H,20,21)/t16-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of human LeuRS assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50075067(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
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)c1nc(cs1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H31N3O8S2/c1-15(2)12-19(27)25(32)29-39(33,34)35-13-21-22(30)23(31)24(37-21)26-28-20(14-38-26)16-8-10-18(11-9-16)36-17-6-4-3-5-7-17/h3-11,14-15,19,21-24,30-31H,12-13,27H2,1-2H3,(H,29,32)/t19-,21+,22+,23+,24+/m0/s1
Affinity DataIC50: 1.60nMAssay Description:Compound tested for the inhibition of E. coli Leucyl-tRNA synthetaseMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Staphylococcus aureus (strain NCTC 8325))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286765(CHEMBL4159778)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cccc(N)n1
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)9-14(18)17(22)21-25(23,24)13-6-3-5-12(10-13)15-7-4-8-16(19)20-15/h3-8,10-11,14H,9,18H2,1-2H3,(H2,19,20)(H,21,22)/t14-/m0/s1
Affinity DataIC50: 1.70nMAssay Description:Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50075069(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
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)c1nc(CCc2ccccc2)cs1
Show InChI InChI=1S/C22H31N3O7S2/c1-13(2)10-16(23)21(28)25-34(29,30)31-11-17-18(26)19(27)20(32-17)22-24-15(12-33-22)9-8-14-6-4-3-5-7-14/h3-7,12-13,16-20,26-27H,8-11,23H2,1-2H3,(H,25,28)/t16-,17+,18+,19+,20+/m0/s1
Affinity DataIC50: 2nMAssay Description:Compound tested for the inhibition of E. coli Leucyl-tRNA synthetaseMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286771(CHEMBL4167692)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)ncn1
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)7-15(18)17(22)21-25(23,24)14-6-4-5-13(9-14)16-8-12(3)19-10-20-16/h4-6,8-11,15H,7,18H2,1-3H3,(H,21,22)/t15-/m0/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of human LeuRS assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Staphylococcus aureus (strain NCTC 8325))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286771(CHEMBL4167692)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)ncn1
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)7-15(18)17(22)21-25(23,24)14-6-4-5-13(9-14)16-8-12(3)19-10-20-16/h4-6,8-11,15H,7,18H2,1-3H3,(H,21,22)/t15-/m0/s1
Affinity DataIC50: 2.70nMAssay Description:Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286770(CHEMBL4171058)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H22N2O3S/c1-13(2)11-17(19)18(21)20-24(22,23)16-10-6-9-15(12-16)14-7-4-3-5-8-14/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21)/t17-/m0/s1
Affinity DataIC50: 3.40nMAssay Description:Inhibition of human LeuRS assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Staphylococcus aureus (strain NCTC 8325))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286775(CHEMBL4174152)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-14(2)11-18(23)21(28)27-31(29,30)17-10-6-9-16(12-17)20-13-19(25-22(24)26-20)15-7-4-3-5-8-15/h3-10,12-14,18H,11,23H2,1-2H3,(H,27,28)(H2,24,25,26)/t18-/m0/s1
Affinity DataIC50: 3.60nMAssay Description:Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286769(CHEMBL4161986)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C16H21N5O3S/c1-10(2)8-13(17)15(22)21-25(23,24)12-5-3-4-11(9-12)14-6-7-19-16(18)20-14/h3-7,9-10,13H,8,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t13-/m0/s1
Affinity DataIC50: 3.90nMAssay Description:Inhibition of human LeuRS assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Staphylococcus aureus (strain NCTC 8325))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286766(CHEMBL4163450)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1
Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1
Affinity DataIC50: 4.40nMAssay Description:Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Staphylococcus aureus (strain NCTC 8325))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286772(CHEMBL4160841)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H18N2O3S/c1-9(2)8-11(13)12(15)14-18(16,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
Affinity DataIC50: 5.40nMAssay Description:Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50075055(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
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)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1
Show InChI InChI=1S/C28H35N3O8S2/c1-17(2)14-22(29)27(34)31-41(35,36)37-15-23-24(32)25(33)26(39-23)28-30-19(16-40-28)11-8-18-9-12-21(13-10-18)38-20-6-4-3-5-7-20/h3-7,9-10,12-13,16-17,22-26,32-33H,8,11,14-15,29H2,1-2H3,(H,31,34)/t22-,23+,24+,25+,26+/m0/s1
Affinity DataIC50: 6nMAssay Description:Compound tested for the inhibition of human isoleucyl-tRNA synthetaseMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Staphylococcus aureus (strain NCTC 8325))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286769(CHEMBL4161986)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C16H21N5O3S/c1-10(2)8-13(17)15(22)21-25(23,24)12-5-3-4-11(9-12)14-6-7-19-16(18)20-14/h3-7,9-10,13H,8,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t13-/m0/s1
Affinity DataIC50: 9.20nMAssay Description:Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286774(CHEMBL4163140)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C17H21N3O3S/c1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13/h3-9,11-12,16H,10,18H2,1-2H3,(H,20,21)/t16-/m0/s1
Affinity DataIC50: 13nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286767(CHEMBL4172643)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)c1
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)8-15(18)17(22)21-25(23,24)14-5-3-4-12(9-14)13-6-7-20-16(19)10-13/h3-7,9-11,15H,8,18H2,1-2H3,(H2,19,20)(H,21,22)/t15-/m0/s1
Affinity DataIC50: 14nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50093005((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O
Show InChI InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1
Affinity DataIC50: 16nMAssay Description:Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29More data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50458119(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
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
Affinity DataIC50: 22nMAssay Description:Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assayMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286765(CHEMBL4159778)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cccc(N)n1
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)9-14(18)17(22)21-25(23,24)13-6-3-5-12(10-13)15-7-4-8-16(19)20-15/h3-8,10-11,14H,9,18H2,1-2H3,(H2,19,20)(H,21,22)/t14-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286770(CHEMBL4171058)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H22N2O3S/c1-13(2)11-17(19)18(21)20-24(22,23)16-10-6-9-15(12-16)14-7-4-3-5-8-14/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21)/t17-/m0/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50286775(CHEMBL4174152)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-14(2)11-18(23)21(28)27-31(29,30)17-10-6-9-16(12-17)20-13-19(25-22(24)26-20)15-7-4-3-5-8-15/h3-10,12-14,18H,11,23H2,1-2H3,(H,27,28)(H2,24,25,26)/t18-/m0/s1
Affinity DataIC50: 33nMAssay Description:Inhibition of human LeuRS assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286772(CHEMBL4160841)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H18N2O3S/c1-9(2)8-11(13)12(15)14-18(16,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
Affinity DataIC50: 35nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286766(CHEMBL4163450)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1
Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1
Affinity DataIC50: 41nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Anacor Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50241780(CHEMBL4105269)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Cl)cc1OCCOc21
Show InChI InChI=1S/C10H11BClNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1
Affinity DataIC50: 46nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...More data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286771(CHEMBL4167692)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)ncn1
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)7-15(18)17(22)21-25(23,24)14-6-4-5-13(9-14)16-8-12(3)19-10-20-16/h4-6,8-11,15H,7,18H2,1-3H3,(H,21,22)/t15-/m0/s1
Affinity DataIC50: 47nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286769(CHEMBL4161986)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C16H21N5O3S/c1-10(2)8-13(17)15(22)21-25(23,24)12-5-3-4-11(9-12)14-6-7-19-16(18)20-14/h3-7,9-10,13H,8,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t13-/m0/s1
Affinity DataIC50: 54nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Anacor Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50241754(CHEMBL4077894)
Show SMILES Cl.CCOc1ccc(Cl)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1S/C10H13BClNO3.ClH/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9;/h3-4,8,14H,2,5,13H2,1H3;1H/t8-;/m1./s1
Affinity DataIC50: 56nMAssay Description:Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.More data for this Ligand-Target Pair
TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50286768(CHEMBL4171458)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H20N2O3S/c1-11(2)9-15(17)16(19)18-22(20,21)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
Affinity DataIC50: 65nMAssay Description:Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumptionMore data for this Ligand-Target Pair
TargetLeucine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
Oxford Drug Design Ltd.

Curated by ChEMBL
LigandPNGBDBM50550346(CHEMBL4558130)
Show SMILES CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H24N6O9S/c1-6(2)9(23)11(25)15(27)21-32(28,29)30-3-7-10(24)12(26)16(31-7)22-5-20-8-13(17)18-4-19-14(8)22/h4-7,9-12,16,23-26H,3H2,1-2H3,(H,21,27)(H2,17,18,19)/t7-,9-,10-,11+,12-,16-/m1/s1
Affinity DataIC50: 70nMAssay Description:Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLeucine--tRNA ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Anacor Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50241778(CHEMBL4086672)
Show SMILES Cl.COc1ccc(Br)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1S/C9H11BBrNO3.ClH/c1-14-6-3-2-5(11)8-7(4-12)15-10(13)9(6)8;/h2-3,7,13H,4,12H2,1H3;1H/t7-;/m1./s1
Affinity DataIC50: 74nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...More data for this Ligand-Target Pair
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