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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 471.5
BDBM50075064
Wt: 443.4
BDBM50075066
Wt: 485.5
BDBM50075068
Wt: 475.5
BDBM50093001
Wt: 489.5
BDBM50093003
Wt: 503.5
BDBM50093004
Wt: 489.5
BDBM50093005
Wt: 435.9
BDBM50111476
Wt: 449.9
BDBM50171203
Wt: 449.9
BDBM50171204
Wt: 498.1
BDBM50145676
Wt: 335.3
BDBM50145674
Wt: 438.7
BDBM50145675
Wt: 415.3
BDBM50145677
Wt: 449.2
BDBM50145678
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 36 hits in this display   
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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50093001
PNG
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)
Show SMILES CC(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/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver


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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50093003
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](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/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver


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
Isoleucyl-tRNA synthetase


(Staphylococcus aureus)
BDBM50093003
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](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/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-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
Leucyl-tRNA synthetase


(Homo sapiens)
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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50093004
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](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)OC
Show InChI InChI=1S/C20H33N5O8S/c1-5-10(2)16(21)18(29)24-34(31,32)9-15(27)23-20(19(30)33-4)13-8-25(3)7-12(17(22)28)11(13)6-14(20)26/h7,10-11,13-14,16,26H,5-6,8-9,21H2,1-4H3,(H2,22,28)(H,23,27)(H,24,29)/t10-,11-,13+,14-,16-,20+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver


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
Valyl-tRNA synthetase 2


(Homo sapiens)
BDBM50093001
PNG
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)
Show SMILES CC(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/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against VRS (valyl 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
Isoleucyl-tRNA synthetase


(Staphylococcus aureus)
BDBM50093001
PNG
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)
Show SMILES CC(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/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-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
Isoleucyl-tRNA synthetase


(Staphylococcus aureus)
BDBM50093004
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](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)OC
Show InChI InChI=1S/C20H33N5O8S/c1-5-10(2)16(21)18(29)24-34(31,32)9-15(27)23-20(19(30)33-4)13-8-25(3)7-12(17(22)28)11(13)6-14(20)26/h7,10-11,13-14,16,26H,5-6,8-9,21H2,1-4H3,(H2,22,28)(H,23,27)(H,24,29)/t10-,11-,13+,14-,16-,20+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
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 68n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver


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
Isoleucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli 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
Valyl-tRNA synthetase 2


(Homo sapiens)
BDBM50093003
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](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/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against VRS (valyl 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
Valyl-tRNA synthetase 2


(Homo sapiens)
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 290n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against VRS (valyl 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
Isoleucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 330n/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
Isoleucyl-tRNA synthetase


(Staphylococcus aureus)
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 910n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 1.00E+3n/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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50111476
PNG
(1-[5-(4''-Chloro-biphenyl-4-yloxy)-pentyl]-3-pyrid...)
Show SMILES Clc1ccc(cc1)-c1ccc(OCCCCCN2CCN(C2=O)c2ccncc2)cc1
Show InChI InChI=1S/C25H26ClN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2
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n/an/a 1.31E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory activity against Echovirus 9 using plaque reduction assay


Bioorg Med Chem Lett 15: 4206-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.069
BindingDB Entry DOI: 10.7270/Q27080ZC
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50093003
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](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/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1
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n/an/a 1.55E+3n/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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50093001
PNG
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)
Show SMILES CC(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/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1
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n/an/a 2.30E+3n/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
Isoleucyl-tRNA synthetase


(Staphylococcus aureus)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of S. aureus 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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075064
PNG
(((S)-2-Amino-3-methyl-butyryl)-sulfamic acid (2R,3...)
Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O7S2/c1-10(2)14(20)18(25)22-31(26,27)28-8-13-15(23)16(24)17(29-13)19-21-12(9-30-19)11-6-4-3-5-7-11/h3-7,9-10,13-17,23-24H,8,20H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17-/m1/s1
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n/an/a 1.40E+4n/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
Isoleucyl-tRNA synthetase


(Homo sapiens)
BDBM50075064
PNG
(((S)-2-Amino-3-methyl-butyryl)-sulfamic acid (2R,3...)
Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O7S2/c1-10(2)14(20)18(25)22-31(26,27)28-8-13-15(23)16(24)17(29-13)19-21-12(9-30-19)11-6-4-3-5-7-11/h3-7,9-10,13-17,23-24H,8,20H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli 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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50145676
PNG
(CHEMBL3764310)
Show SMILES Oc1c(Br)cc(\C=N\Nc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)cc1Br
Show InChI InChI=1S/C16H10Br2N4O3S/c17-12-5-9(6-13(18)15(12)23)7-19-21-16-20-14(8-26-16)10-1-3-11(4-2-10)22(24)25/h1-8,23H,(H,20,21)/b19-7+
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n/an/a 1.87E+4n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leucine ligation to tRNA incubated for 5 mins by scintillation counting m...


Bioorg Med Chem 24: 1023-31 (2016)


Article DOI: 10.1016/j.bmc.2016.01.028
BindingDB Entry DOI: 10.7270/Q2RN39Q8
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a>2.00E+4n/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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50171204
PNG
(1-[(R)-5-(4'-Chloro-biphenyl-4-yloxy)-3-methyl-pen...)
Show SMILES C[C@@H](CCOc1ccc(cc1)-c1ccc(Cl)cc1)CCN1CCN(C1=O)c1ccncc1
Show InChI InChI=1S/C26H28ClN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory activity against Echovirus 9 using plaque reduction assay


Bioorg Med Chem Lett 15: 4206-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.069
BindingDB Entry DOI: 10.7270/Q27080ZC
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50171203
PNG
(1-[(S)-5-(4'-Chloro-biphenyl-4-yloxy)-3-methyl-pen...)
Show SMILES C[C@H](CCOc1ccc(cc1)-c1ccc(Cl)cc1)CCN1CCN(C1=O)c1ccncc1
Show InChI InChI=1S/C26H28ClN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory activity against Echovirus 9 using plaque reduction assay


Bioorg Med Chem Lett 15: 4206-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.069
BindingDB Entry DOI: 10.7270/Q27080ZC
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50145675
PNG
(CHEMBL3764493)
Show SMILES COc1cc(\C=N\Nc2nc(cs2)-c2ccc(Cl)cc2)cc(Br)c1O
Show InChI InChI=1S/C17H13BrClN3O2S/c1-24-15-7-10(6-13(18)16(15)23)8-20-22-17-21-14(9-25-17)11-2-4-12(19)5-3-11/h2-9,23H,1H3,(H,21,22)/b20-8+
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n/an/a 2.76E+4n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leucine ligation to tRNA incubated for 5 mins by scintillation counting m...


Bioorg Med Chem 24: 1023-31 (2016)


Article DOI: 10.1016/j.bmc.2016.01.028
BindingDB Entry DOI: 10.7270/Q2RN39Q8
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50145677
PNG
(CHEMBL3765025)
Show SMILES COc1cc(\C=N/Nc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N5O6S/c1-28-15-7-10(6-14(16(15)23)22(26)27)8-18-20-17-19-13(9-29-17)11-2-4-12(5-3-11)21(24)25/h2-9,23H,1H3,(H,19,20)/b18-8-
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n/an/a 4.58E+4n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leucine ligation to tRNA incubated for 5 mins by scintillation counting m...


Bioorg Med Chem 24: 1023-31 (2016)


Article DOI: 10.1016/j.bmc.2016.01.028
BindingDB Entry DOI: 10.7270/Q2RN39Q8
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075066
PNG
(((S)-2-Amino-propionyl)-sulfamic acid (2R,3S,4R,5R...)
Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O7S2/c1-9(18)16(23)20-29(24,25)26-7-12-13(21)14(22)15(27-12)17-19-11(8-28-17)10-5-3-2-4-6-10/h2-6,8-9,12-15,21-22H,7,18H2,1H3,(H,20,23)/t9-,12+,13+,14+,15+/m0/s1
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n/an/a>1.00E+5n/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
Alanyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


(Homo sapiens)
BDBM50075066
PNG
(((S)-2-Amino-propionyl)-sulfamic acid (2R,3S,4R,5R...)
Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O7S2/c1-9(18)16(23)20-29(24,25)26-7-12-13(21)14(22)15(27-12)17-19-11(8-28-17)10-5-3-2-4-6-10/h2-6,8-9,12-15,21-22H,7,18H2,1H3,(H,20,23)/t9-,12+,13+,14+,15+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli 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
Alanyl-tRNA synthetase


(Homo sapiens)
BDBM50075066
PNG
(((S)-2-Amino-propionyl)-sulfamic acid (2R,3S,4R,5R...)
Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O7S2/c1-9(18)16(23)20-29(24,25)26-7-12-13(21)14(22)15(27-12)17-19-11(8-28-17)10-5-3-2-4-6-10/h2-6,8-9,12-15,21-22H,7,18H2,1H3,(H,20,23)/t9-,12+,13+,14+,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


(Homo sapiens)
BDBM50075064
PNG
(((S)-2-Amino-3-methyl-butyryl)-sulfamic acid (2R,3...)
Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O7S2/c1-10(2)14(20)18(25)22-31(26,27)28-8-13-15(23)16(24)17(29-13)19-21-12(9-30-19)11-6-4-3-5-7-11/h3-7,9-10,13-17,23-24H,8,20H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


(Homo sapiens)
BDBM50145678
PNG
(CHEMBL3763921)
Show SMILES COc1cc(\C=N/Nc2nc(cs2)-c2ccc(Br)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H13BrN4O4S/c1-26-15-7-10(6-14(16(15)23)22(24)25)8-19-21-17-20-13(9-27-17)11-2-4-12(18)5-3-11/h2-9,23H,1H3,(H,20,21)/b19-8-
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n/an/a 1.16E+5n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leucine ligation to tRNA incubated for 5 mins by scintillation counting m...


Bioorg Med Chem 24: 1023-31 (2016)


Article DOI: 10.1016/j.bmc.2016.01.028
BindingDB Entry DOI: 10.7270/Q2RN39Q8
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50145674
PNG
(CHEMBL2436531)
Show SMILES CCOC(=O)c1sc(N\N=C\c2ccc(O)c(OC)c2)nc1C
Show InChI InChI=1S/C15H17N3O4S/c1-4-22-14(20)13-9(2)17-15(23-13)18-16-8-10-5-6-11(19)12(7-10)21-3/h5-8,19H,4H2,1-3H3,(H,17,18)/b16-8+
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n/an/a 1.16E+5n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leucine ligation to tRNA incubated for 5 mins by scintillation counting m...


Bioorg Med Chem 24: 1023-31 (2016)


Article DOI: 10.1016/j.bmc.2016.01.028
BindingDB Entry DOI: 10.7270/Q2RN39Q8
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50093004
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](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)OC
Show InChI InChI=1S/C20H33N5O8S/c1-5-10(2)16(21)18(29)24-34(31,32)9-15(27)23-20(19(30)33-4)13-8-25(3)7-12(17(22)28)11(13)6-14(20)26/h7,10-11,13-14,16,26H,5-6,8-9,21H2,1-4H3,(H2,22,28)(H,23,27)(H,24,29)/t10-,11-,13+,14-,16-,20+/m0/s1
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n/an/a 1.86E+5n/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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli 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