BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50002398   
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
Aspartate--tRNA ligase


(Escherichia coli)		BDBM50339907
PNG
(((S)-2-amino-3-carboxypropanoyl)(((2R,3S,4R,5R)-5-...)
Show SMILES N[C@@H](CC(O)=O)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/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 0.0520n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Aspartyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escheric...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))		BDBM50458119
PNG
(Leusa)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 0.139n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Leucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichi...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))		BDBM50339906
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES N[C@@H](CO)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/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 0.180n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Seryl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Leucine--tRNA ligase


(Escherichia coli (strain K12))		BDBM50458122
PNG
(CHEMBL4204314)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12 |r|
Show InChI InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
 0.654n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Leucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichi...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Escherichia coli)		BDBM50222902
PNG
(CHEMBL1163069)
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)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H25N7O7S/c1-3-7(2)9(17)15(26)22-31(27,28)29-4-8-11(24)12(25)16(30-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t7-,8+,9-,11+,12+,16+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.90n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Isoleucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escheri...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair
Tyrosine--tRNA ligase


(Escherichia coli (strain K12))		BDBM50458121
PNG
(CHEMBL1163085)
Show SMILES N[C@@H](Cc1ccc(O)cc1)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/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 2.90n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Tyrosyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherich...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aspartate--tRNA ligase


(Escherichia coli)		BDBM50458117
PNG
(CHEMBL4203761)
Show SMILES N[C@@H](CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12 |r|
Show InChI InChI=1S/C15H20N6O9S/c16-6(3-9(22)23)14(26)20-31(27,28)29-4-8-11(24)12(25)15(30-8)21-5-19-10-7(21)1-2-18-13(10)17/h1-2,5-6,8,11-12,15,24-25H,3-4,16H2,(H2,17,18)(H,20,26)(H,22,23)/t6-,8+,11+,12+,15+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 25n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Aspartyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escheric...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair
Tyrosine--tRNA ligase


(Escherichia coli (strain K12))		BDBM50458118
PNG
(CHEMBL4208126)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12 |r|
Show InChI InChI=1S/C20H24N6O8S/c21-12(7-10-1-3-11(27)4-2-10)19(30)25-35(31,32)33-8-14-16(28)17(29)20(34-14)26-9-24-15-13(26)5-6-23-18(15)22/h1-6,9,12,14,16-17,20,27-29H,7-8,21H2,(H2,22,23)(H,25,30)/t12-,14+,16+,17+,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 30n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Tyrosyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherich...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Escherichia coli)		BDBM50458120
PNG
(CHEMBL4215986)
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)n1cnc2c(N)nccc12 |r|
Show InChI InChI=1S/C17H26N6O7S/c1-3-8(2)11(18)16(26)22-31(27,28)29-6-10-13(24)14(25)17(30-10)23-7-21-12-9(23)4-5-20-15(12)19/h4-5,7-8,10-11,13-14,17,24-25H,3,6,18H2,1-2H3,(H2,19,20)(H,22,26)/t8-,10+,11-,13+,14+,17+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 213n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Isoleucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escheri...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair
Serine--tRNA ligase


(Escherichia coli (strain K12))		BDBM50458116
PNG
(CHEMBL4208640)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12 |r|
Show InChI InChI=1S/C14H20N6O8S/c15-6(3-21)13(24)19-29(25,26)27-4-8-10(22)11(23)14(28-8)20-5-18-9-7(20)1-2-17-12(9)16/h1-2,5-6,8,10-11,14,21-23H,3-4,15H2,(H2,16,17)(H,19,24)/t6-,8+,10+,11+,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 523n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Seryl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair