Found 25 hits Enz. Inhib. hit(s) with Target = 'Threonine--tRNA ligase 1, cytoplasmic' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426188
(CHEMBL2311920)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1 |r| Show InChI InChI=1S/C18H18ClN5O4S/c1-9(25)15(20)17(26)24-29(27,28)12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,25H,20H2,1H3,(H,24,26)(H2,21,22,23)/t9-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426182
(CHEMBL2311926)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H19N5O4S/c1-11(26)17(21)20(27)25-30(28,29)15-5-4-12-2-3-13(8-14(12)9-15)18-16-6-7-22-19(16)24-10-23-18/h2-11,17,26H,21H2,1H3,(H,25,27)(H,22,23,24)/t11-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426184
(CHEMBL2311924)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C18H19N5O4S/c1-10(24)17(20)18(25)23-28(26,27)14-5-4-11-2-3-12(6-13(11)7-14)15-8-16(19)22-9-21-15/h2-10,17,24H,20H2,1H3,(H,23,25)(H2,19,21,22)/t10-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426190
(CHEMBL2311918)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)ncnc2c1 |r| Show InChI InChI=1S/C18H19N5O4S/c1-10(24)16(19)18(25)23-28(26,27)13-4-2-3-11(7-13)12-5-6-14-15(8-12)21-9-22-17(14)20/h2-10,16,24H,19H2,1H3,(H,23,25)(H2,20,21,22)/t10-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426183
(CHEMBL2311925)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C16H19N5O4S/c1-10(22)15(18)16(23)21-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(17)20-9-19-13/h2-10,15,22H,18H2,1H3,(H,21,23)(H2,17,19,20)/b6-5+/t10-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426181
(CHEMBL2311927)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)N1CCc2ccc(cc2C1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C19H22N6O4S/c1-11(26)16(20)19(27)24-30(28,29)25-7-5-12-2-3-13(8-14(12)9-25)17-15-4-6-21-18(15)23-10-22-17/h2-4,6,8,10-11,16,26H,5,7,9,20H2,1H3,(H,24,27)(H,21,22,23)/t11-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426189
(CHEMBL2311919)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(N)nc2c1 |r| Show InChI InChI=1S/C18H20N6O4S/c1-9(25)15(19)17(26)24-29(27,28)12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(21)23-16(13)20/h2-9,15,25H,19H2,1H3,(H,24,26)(H4,20,21,22,23)/t9-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426200
(CHEMBL2311917)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6+,7+,9+,10+,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426194
(CHEMBL2316966)Show SMILES CC[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C17H21N5O4S/c1-2-14(23)16(19)17(24)22-27(25,26)7-6-11-4-3-5-12(8-11)13-9-15(18)21-10-20-13/h3-10,14,16,23H,2,19H2,1H3,(H,22,24)(H2,18,20,21)/b7-6+/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426187
(CHEMBL2311921)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(C)nc2c1 |r| Show InChI InChI=1S/C19H21N5O4S/c1-10(25)17(20)19(26)24-29(27,28)14-5-3-4-12(8-14)13-6-7-15-16(9-13)22-11(2)23-18(15)21/h3-10,17,25H,20H2,1-2H3,(H,24,26)(H2,21,22,23)/t10-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426180
(CHEMBL2311928)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2C(=O)NCc2c1 |r| Show InChI InChI=1S/C18H19N3O5S/c1-10(22)16(19)18(24)21-27(25,26)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-20-17(15)23/h2-8,10,16,22H,9,19H2,1H3,(H,20,23)(H,21,24)/t10-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426197
(CHEMBL2316963)Show SMILES C[C@@H](O)[C@H](N)C(=O)NNc1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1 |r| Show InChI InChI=1S/C18H19ClN6O2/c1-9(26)15(20)17(27)25-24-12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,24,26H,20H2,1H3,(H,25,27)(H2,21,22,23)/t9-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 399 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426186
(CHEMBL2311922)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)cc2c1 |r| Show InChI InChI=1S/C19H19ClN4O4S/c1-10(25)17(21)19(26)24-29(27,28)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-16(20)23-18(15)22/h2-10,17,25H,21H2,1H3,(H2,22,23)(H,24,26)/t10-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 463 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426193
(CHEMBL2316967)Show SMILES CC(C)[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C18H23N5O4S/c1-11(2)17(24)16(20)18(25)23-28(26,27)7-6-12-4-3-5-13(8-12)14-9-15(19)22-10-21-14/h3-11,16-17,24H,20H2,1-2H3,(H,23,25)(H2,19,21,22)/b7-6+/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 601 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426198
(CHEMBL2316962)Show SMILES C[C@@H](O)[C@H](N)C(=O)NCc1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1 |r| Show InChI InChI=1S/C19H20ClN5O2/c1-10(26)16(21)18(27)23-9-11-3-2-4-12(7-11)13-5-6-14-15(8-13)24-19(20)25-17(14)22/h2-8,10,16,26H,9,21H2,1H3,(H,23,27)(H2,22,24,25)/t10-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 935 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426179
(CHEMBL2311929)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(Cl)c2c1 |r| Show InChI InChI=1S/C17H17ClN4O4S/c1-9(23)15(19)17(24)22-27(25,26)12-4-2-3-10(7-12)11-5-6-14-13(8-11)16(18)21-20-14/h2-9,15,23H,19H2,1H3,(H,20,21)(H,22,24)/t9-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426185
(CHEMBL2311923)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C19H20N4O4S/c1-11(24)17(20)19(25)23-28(26,27)15-4-2-3-12(10-15)13-5-6-16-14(9-13)7-8-22-18(16)21/h2-11,17,24H,20H2,1H3,(H2,21,22)(H,23,25)/t11-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426178
(CHEMBL2316960)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1 |r| Show InChI InChI=1S/C18H20N4O4S/c1-10-15-9-13(6-7-16(15)21-20-10)12-4-3-5-14(8-12)27(25,26)22-18(24)17(19)11(2)23/h3-9,11,17,23H,19H2,1-2H3,(H,20,21)(H,22,24)/t11-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426191
(CHEMBL2311916)Show SMILES C[C@@H](N)[C@H](N)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C16H20N6O3S/c1-10(17)15(19)16(23)22-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(18)21-9-20-13/h2-10,15H,17,19H2,1H3,(H,22,23)(H2,18,20,21)/b6-5+/t10-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426199
(CHEMBL2316959)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C16H18N2O5S/c1-11(19)15(17)16(20)18-24(21,22)14-9-7-13(8-10-14)23-12-5-3-2-4-6-12/h2-11,15,19H,17H2,1H3,(H,18,20)/t11-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426196
(CHEMBL2316964)Show SMILES C[C@@H](O)[C@H](N)CNS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1 |r| Show InChI InChI=1S/C18H20ClN5O3S/c1-10(25)15(20)9-22-28(26,27)13-4-2-3-11(7-13)12-5-6-14-16(8-12)23-18(19)24-17(14)21/h2-8,10,15,22,25H,9,20H2,1H3,(H2,21,23,24)/t10-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426192
(CHEMBL2316968)Show SMILES C[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C16H18N4O5S/c1-10(21)15(22)16(23)20-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(17)19-9-18-13/h2-10,15,21-22H,1H3,(H,20,23)(H2,17,18,19)/b6-5+/t10-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426177
(CHEMBL2316961)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C17H18N4O4S/c1-10(22)16(18)17(23)21-26(24,25)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-19-20-15/h2-10,16,22H,18H2,1H3,(H,19,20)(H,21,23)/t10-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50426195
(CHEMBL2316965)Show SMILES C[C@@H](O)[C@H](N)C(=O)N(C)S(=O)(=O)c1cccc(c1)-c1ccc2C(=O)NCc2c1 |r| Show InChI InChI=1S/C19H21N3O5S/c1-11(23)17(20)19(25)22(2)28(26,27)15-5-3-4-12(9-15)13-6-7-16-14(8-13)10-21-18(16)24/h3-9,11,17,23H,10,20H2,1-2H3,(H,21,24)/t11-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trius Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry |
J Med Chem 56: 1748-60 (2013)
Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036 |
More data for this
Ligand-Target Pair | |
Threonine--tRNA ligase 1, cytoplasmic
(Homo sapiens (Human)) | BDBM50366646
(CHEMBL1163068)Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,9-,10-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against cognate Staphylococcus aureus threonyl tRNA synthetase |
Bioorg Med Chem Lett 10: 1871-4 (2000)
BindingDB Entry DOI: 10.7270/Q2TX3FWJ |
More data for this
Ligand-Target Pair | |
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