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Compile Data Set for Download or QSAR

Found 599 hits with Last Name = 'yu' and Initial = 'xy'   
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
Cathepsin K


(Homo sapiens (Human))		BDBM50517806
PNG
(CHEMBL4541720)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)14-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)32(5,30)31/h6-13,16,21H,14H2,1-5H3,(H,25,28)
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 1.10n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human cathepsin K expressed in Escherichia coli

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Bifunctional glutamate/proline--tRNA ligase


(Homo sapiens (Human))		BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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 5.10n/an/an/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50517805
PNG
(CHEMBL4454648)
Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)13-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-7-18(14-19)17-9-11-20(12-10-17)32(5,30)31/h6-12,14,16,21H,13H2,1-5H3,(H,25,28)
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 7.20n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human cathepsin K expressed in Escherichia coli

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Bifunctional glutamate/proline--tRNA ligase


(Homo sapiens (Human))		BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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 15n/an/an/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50517806
PNG
(CHEMBL4541720)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)14-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)32(5,30)31/h6-13,16,21H,14H2,1-5H3,(H,25,28)
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 195n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50517806
PNG
(CHEMBL4541720)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)14-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)32(5,30)31/h6-13,16,21H,14H2,1-5H3,(H,25,28)
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 239n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S expressed in Escherichia coli

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50517805
PNG
(CHEMBL4454648)
Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)13-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-7-18(14-19)17-9-11-20(12-10-17)32(5,30)31/h6-12,14,16,21H,13H2,1-5H3,(H,25,28)
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 406n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50517805
PNG
(CHEMBL4454648)
Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)13-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-7-18(14-19)17-9-11-20(12-10-17)32(5,30)31/h6-12,14,16,21H,13H2,1-5H3,(H,25,28)
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 735n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S expressed in Escherichia coli

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50517806
PNG
(CHEMBL4541720)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)14-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)32(5,30)31/h6-13,16,21H,14H2,1-5H3,(H,25,28)
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 909n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50517805
PNG
(CHEMBL4454648)
Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)13-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-7-18(14-19)17-9-11-20(12-10-17)32(5,30)31/h6-12,14,16,21H,13H2,1-5H3,(H,25,28)
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 3.35E+3n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase alpha subunit


(Streptococcus pyogenes serotype M18)		BDBM50140706
PNG
(5-(3,4-dichlorophenyl)-3-phenyl-(3R,3aR,6aS)-spiro...)
Show SMILES Oc1c2C(OC3(C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C26H15Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,21,32-33H
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n/an/a 2n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human phenylalanyl-tRNA synthetase was determined

Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50517806
PNG
(CHEMBL4541720)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)14-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)32(5,30)31/h6-13,16,21H,14H2,1-5H3,(H,25,28)
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n/an/a 2.40n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human cathepsin K expressed in Escherichia coli

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase alpha subunit


(Streptococcus pyogenes serotype M18)		BDBM50140706
PNG
(5-(3,4-dichlorophenyl)-3-phenyl-(3R,3aR,6aS)-spiro...)
Show SMILES Oc1c2C(OC3(C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C26H15Cl2NO5/c27-17-11-10-14(12-18(17)28)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,21,32-33H
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n/an/a 5n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylalanyl-tRNA synthetase from Enterococcus faecalis

Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50517805
PNG
(CHEMBL4454648)
Show SMILES CC(C)CC(NC(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H28N4O4S/c1-16(2)13-21(23(29)27(4)26(3)15-24)25-22(28)19-8-6-7-18(14-19)17-9-11-20(12-10-17)32(5,30)31/h6-12,14,16,21H,13H2,1-5H3,(H,25,28)
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n/an/a 15n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human cathepsin K expressed in Escherichia coli

Bioorg Med Chem 27: 1034-1042 (2019)


Article DOI: 10.1016/j.bmc.2019.02.003
BindingDB Entry DOI: 10.7270/Q2M048TS
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097082
PNG
(2-(4-Bromo-phenyl)-6-iodo-quinoline-4-carboxylic a...)
Show SMILES OC(=O)c1cc(nc2ccc(I)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H9BrINO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
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n/an/a 19n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097095
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(=O)OCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H15BrCl3NO2/c1-13-8-17(26)10-18-19(24(30)31-12-14-2-7-20(27)21(28)9-14)11-22(29-23(13)18)15-3-5-16(25)6-4-15/h2-11H,12H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075061
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097105
PNG
(6-Bromo-2-(4-bromo-phenyl)-quinoline-4-carboxylic ...)
Show SMILES OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H9Br2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097106
PNG
(2-(4-Bromo-phenyl)-8-chloro-6-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)c2nc(cc(C(O)=O)c2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12-13(17(21)22)8-15(20-16(12)14(19)7-9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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n/an/a 25n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097090
PNG
(2-(4-Bromo-phenyl)-6-chloro-quinoline-4-carboxylic...)
Show SMILES OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H9BrClNO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
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n/an/a 26n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097086
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(=O)Oc1nnn[nH]1
Show InChI InChI=1S/C18H11BrClN5O2/c1-9-6-12(20)7-13-14(17(26)27-18-22-24-25-23-18)8-15(21-16(9)13)10-2-4-11(19)5-3-10/h2-8H,1H3,(H,22,23,24,25)
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n/an/a 30n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075059
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1OC
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-13(10-33-21)12-7-5-6-8-14(12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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n/an/a 34n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase alpha subunit


(Streptococcus pyogenes serotype M18)		BDBM50140709
PNG
(5'-(3,4-dichlorophenyl)-3'-phenyl-(3'R,3a'S,6a'R)-...)
Show SMILES Oc1c2C(NC3(C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C26H16Cl2N2O4/c27-17-11-10-14(12-18(17)28)30-24(33)19-20(25(30)34)26(29-21(19)13-6-2-1-3-7-13)22(31)15-8-4-5-9-16(15)23(26)32/h1-12,21,29,33-34H
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n/an/a 40n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylalanyl-tRNA synthetase from Staphylococcus aureus

Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
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n/an/a 40n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase alpha subunit


(Streptococcus pyogenes serotype M18)		BDBM50140709
PNG
(5'-(3,4-dichlorophenyl)-3'-phenyl-(3'R,3a'S,6a'R)-...)
Show SMILES Oc1c2C(NC3(C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C26H16Cl2N2O4/c27-17-11-10-14(12-18(17)28)30-24(33)19-20(25(30)34)26(29-21(19)13-6-2-1-3-7-13)22(31)15-8-4-5-9-16(15)23(26)32/h1-12,21,29,33-34H
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n/an/a 40n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylalanyl-tRNA synthetase from Enterococcus faecalis

Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075070
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-15(2)21(27)25(32)29-39(33,34)35-13-20-22(30)23(31)24(37-20)26-28-19(14-38-26)16-9-11-18(12-10-16)36-17-7-5-4-6-8-17/h4-12,14-15,20-24,30-31H,3,13,27H2,1-2H3,(H,29,32)/t15?,20-,21+,22-,23-,24-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097113
PNG
(2-(4-Bromo-phenyl)-6-trifluoromethoxy-quinoline-4-...)
Show SMILES OC(=O)c1cc(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H9BrF3NO3/c18-10-3-1-9(2-4-10)15-8-13(16(23)24)12-7-11(25-17(19,20)21)5-6-14(12)22-15/h1-8H,(H,23,24)
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n/an/a 53n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		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>54n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Phenylalanine--tRNA ligase alpha subunit


(Streptococcus pyogenes serotype M18)		BDBM50140707
PNG
(5-(3-chloro-4-methylphenyl)-3-phenyl-(3R,3aS,6aR)-...)
Show SMILES Cc1ccc(cc1Cl)-n1c(O)c2C(OC3(C(=O)c4ccccc4C3=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C27H18ClNO5/c1-14-11-12-16(13-19(14)28)29-25(32)20-21(26(29)33)27(34-22(20)15-7-3-2-4-8-15)23(30)17-9-5-6-10-18(17)24(27)31/h2-13,22,32-33H,1H3
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n/an/a 70n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylalanyl-tRNA synthetase from Staphylococcus aureus

Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097102
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(=O)OCc1ccco1
Show InChI InChI=1S/C22H15BrClNO3/c1-13-9-16(24)10-18-19(22(26)28-12-17-3-2-8-27-17)11-20(25-21(13)18)14-4-6-15(23)7-5-14/h2-11H,12H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		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 90n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		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 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075063
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-5-7-13(30-3)8-6-12/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase

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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		BDBM50075063
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-5-7-13(30-3)8-6-12/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075065
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))		BDBM50075062
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cc(co1)C#N
Show InChI InChI=1S/C19H24N4O8S2/c1-3-9(2)14(21)18(26)23-33(27,28)30-7-13-15(24)16(25)17(31-13)19-22-11(8-32-19)12-4-10(5-20)6-29-12/h4,6,8-9,13-17,24-25H,3,7,21H2,1-2H3,(H,23,26)/t9?,13-,14+,15-,16-,17-/m1/s1
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n/an/a 120n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097107
PNG
(2-(4-Bromo-phenyl)-7-fluoro-8-methyl-quinoline-4-c...)
Show SMILES Cc1c(F)ccc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrFNO2/c1-9-14(19)7-6-12-13(17(21)22)8-15(20-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
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n/an/a 120n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		BDBM50075065
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)		BDBM50075061
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
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n/an/a 130n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Proline--tRNA ligase, cytoplasmic


(Candida albicans)		BDBM50097091
PNG
(2-(4-Bromo-phenyl)-5,7-dichloro-quinoline-4-carbox...)
Show SMILES OC(=O)c1cc(nc2cc(Cl)cc(Cl)c12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H8BrCl2NO2/c17-9-3-1-8(2-4-9)13-7-11(16(21)22)15-12(19)5-10(18)6-14(15)20-13/h1-7H,(H,21,22)
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n/an/a 140n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against Candida albicans prolyl-tRNA synthetase

Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
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