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Compile Data Set for Download or QSAR

Found 152 hits Enz. Inhib. hit(s) with Target = 'Leucyl-tRNA synthetase'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leucine--tRNA ligase


(Staphylococcus aureus (strain NCTC 8325))
BDBM50286768
PNG
(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
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n/an/a 1n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286772
PNG
(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
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n/an/a 1.10n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286774
PNG
(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
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n/an/a 1.20n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50075067
PNG
(((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
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n/an/a 1.60n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00738-0
BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Staphylococcus aureus (strain NCTC 8325))
BDBM50286765
PNG
(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
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n/an/a 1.70n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286771
PNG
(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
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n/an/a 2n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50075069
PNG
(((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
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n/an/a<2n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00738-0
BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Staphylococcus aureus (strain NCTC 8325))
BDBM50286771
PNG
(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
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n/an/a 2.70n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286770
PNG
(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
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n/an/a 3.40n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Staphylococcus aureus (strain NCTC 8325))
BDBM50286775
PNG
(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
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n/an/a 3.60n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286769
PNG
(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
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n/an/a 3.90n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Staphylococcus aureus (strain NCTC 8325))
BDBM50286766
PNG
(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
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n/an/a 4.40n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Staphylococcus aureus (strain NCTC 8325))
BDBM50286772
PNG
(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
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n/an/a 5.40n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50075055
PNG
(((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
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n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human isoleucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00738-0
BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Staphylococcus aureus (strain NCTC 8325))
BDBM50286769
PNG
(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
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n/an/a 9.20n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286774
PNG
(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
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n/an/a 13n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286767
PNG
(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
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n/an/a 14n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50093005
PNG
((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
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n/an/a 16n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29


Bioorg Med Chem Lett 10: 2263-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00456-x
BindingDB Entry DOI: 10.7270/Q2PN94W3
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286765
PNG
(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
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n/an/a 23n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286770
PNG
(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
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n/an/a 32n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286775
PNG
(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
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n/an/a 33n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286772
PNG
(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
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n/an/a 35n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286766
PNG
(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
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n/an/a 41n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241780
PNG
(CHEMBL4105269)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Cl)cc1OCCOc21
Show InChI InChI=1/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-;/s2
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n/an/a 46n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286771
PNG
(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
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n/an/a 47n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286769
PNG
(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
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n/an/a 54n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241754
PNG
(CHEMBL4077894)
Show SMILES Cl.CCOc1ccc(Cl)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1/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-;/s2
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n/an/a 56n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286768
PNG
(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
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n/an/a 65n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241778
PNG
(CHEMBL4086672)
Show SMILES Cl.COc1ccc(Br)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1/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-;/s2
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n/an/a 74n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241756
PNG
(CHEMBL4075879)
Show SMILES CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1/C10H13BBrNO3/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/t8-/s2
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n/an/a 75n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241795
PNG
(CHEMBL4104309)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCCF
Show InChI InChI=1/C10H12BClFNO3.ClH/c12-6-1-2-7(16-4-3-13)10-9(6)8(5-14)17-11(10)15;/h1-2,8,15H,3-5,14H2;1H
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n/an/a 76n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241792
PNG
(CHEMBL4102148)
Show SMILES CCOc1ccc(F)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1/C10H13BFNO3/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/t8-/s2
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n/an/a 80n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241791
PNG
(CHEMBL4082544)
Show SMILES OC(=O)C(F)(F)F.NCC1OB(O)c2c1c(Br)cc1OCCOc21
Show InChI InChI=1/C10H11BBrNO4.C2HF3O2/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;3-2(4,5)1(6)7/h3,7,14H,1-2,4,13H2;(H,6,7)
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n/an/a 92n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241781
PNG
(CHEMBL4066833)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)cc1OCCOc21
Show InChI InChI=1/C10H11BBrNO4.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-;/s2
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n/an/a 120n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241782
PNG
(CHEMBL4081207)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)ccc2OCCO
Show InChI InChI=1/C10H13BBrNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/s2
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n/an/a 120n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241755
PNG
(CHEMBL4081755)
Show SMILES CCOc1cccc2[C@@H](CN)OB(O)c12
Show InChI InChI=1/C10H14BNO3/c1-2-14-8-5-3-4-7-9(6-12)15-11(13)10(7)8/h3-5,9,13H,2,6,12H2,1H3/t9-/s2
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n/an/a 130n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241789
PNG
(CHEMBL4084478)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)cc1OCCOc21
Show InChI InChI=1/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
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n/an/a 130n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241772
PNG
(CHEMBL4105458)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2OCCO
Show InChI InChI=1/C10H13BBrNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H
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n/an/a 150n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241757
PNG
(CHEMBL4066786)
Show SMILES Cl.COc1ccc(Cl)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1/C9H11BClNO3.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-;/s2
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n/an/a 150n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286766
PNG
(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
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Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241769
PNG
(CHEMBL4090012)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)ccc2OCCCO
Show InChI InChI=1/C11H15BBrNO4.ClH/c13-7-2-3-8(17-5-1-4-15)11-10(7)9(6-14)18-12(11)16;/h2-3,9,15-16H,1,4-6,14H2;1H/t9-;/s2
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n/an/a 160n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241779
PNG
(CHEMBL4082159)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Cl)ccc2OCCO
Show InChI InChI=1/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/s2
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n/an/a 200n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241760
PNG
(CHEMBL4067937)
Show SMILES Cl.CCCCOc1ccc(Br)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1/C12H17BBrNO3.ClH/c1-2-3-6-17-9-5-4-8(14)11-10(7-15)18-13(16)12(9)11;/h4-5,10,16H,2-3,6-7,15H2,1H3;1H/t10-;/s2
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n/an/a 200n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50286768
PNG
(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
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n/an/a 220n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286775
PNG
(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
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n/an/a 224n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)

More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241798
PNG
(CHEMBL4084509)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2OCC(F)F
Show InChI InChI=1/C10H11BBrF2NO3.ClH/c12-5-1-2-6(17-4-8(13)14)10-9(5)7(3-15)18-11(10)16;/h1-2,7-8,16H,3-4,15H2;1H
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n/an/a 240n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241770
PNG
(CHEMBL4061966)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCCO
Show InChI InChI=1/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H
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n/an/a 240n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241759
PNG
(CHEMBL4094412)
Show SMILES Cl.CCCOc1ccc(Br)c2[C@@H](CN)OB(O)c12
Show InChI InChI=1/C11H15BBrNO3.ClH/c1-2-5-16-8-4-3-7(13)10-9(6-14)17-12(15)11(8)10;/h3-4,9,15H,2,5-6,14H2,1H3;1H/t9-;/s2
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n/an/a 240n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241799
PNG
(CHEMBL4096785)
Show SMILES Cl.CCCOc1cc2B(O)OC(CN)c2c(Cl)c1
Show InChI InChI=1/C11H15BClNO3.ClH/c1-2-3-16-7-4-8-11(9(13)5-7)10(6-14)17-12(8)15;/h4-5,10,15H,2-3,6,14H2,1H3;1H
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n/an/a 250n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241800
PNG
(CHEMBL4074178)
Show SMILES Cl.NCC1OB(O)c2c3OCOc3cc(Cl)c12
Show InChI InChI=1/C9H9BClNO4.ClH/c11-4-1-5-9(15-3-14-5)8-7(4)6(2-12)16-10(8)13;/h1,6,13H,2-3,12H2;1H
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n/an/a 250n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...


J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
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