BindingDB logo
myBDB logout

35 similar compounds to monomer 50091515

Compile data set for download or QSAR
Wt: 403.3
BDBM18138
Wt: 475.4
BDBM18122
Wt: 457.4
BDBM18123
Wt: 461.4
BDBM18127
Wt: 483.4
BDBM50091516
Wt: 449.4
BDBM50339905
Wt: 433.3
BDBM50339906
Wt: 461.4
BDBM50339907
Wt: 447.4
BDBM50366646
Wt: 460.4
BDBM50366675
Wt: 599.4
BDBM50366859
Wt: 477.5
BDBM50366860
Wt: 501.5
BDBM50366861
Wt: 483.4
BDBM50366862
Wt: 557.6
BDBM50366863
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 18138,18122,18123,18127,50091516,50339905,50339906,50339907,50366646,50366675,50366859,50366860,50366861,50366862,50366863   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
tRNA synthetase (AspRS)


(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
Show InChI InChI=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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)

More data for this
Ligand-Target Pair
tRNA synthetase (GluRS)


(Escherichia coli)
BDBM18122
PNG
((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.80 -12.1n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


J Enzyme Inhib Med Chem 20: 61-7 (2005)


Article DOI: 10.1080/14756360400002007
BindingDB Entry DOI: 10.7270/Q2X0659C
More data for this
Ligand-Target Pair
tRNA synthetase (AspRS)


(Escherichia coli)
BDBM18127
PNG
(3-amino-4-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
Show SMILES NC(CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
15 -11.1n/an/an/an/an/a7.537



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


Bioorg Med Chem 13: 69-75 (2005)


Article DOI: 10.1016/j.bmc.2004.09.055
BindingDB Entry DOI: 10.7270/Q2S75DM3
More data for this
Ligand-Target Pair
tRNA synthetase (GlyRS)


(Bombyx mori)
BDBM18138
PNG
(2-amino-1-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
Show SMILES NCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/s2
UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
50 -9.95 2.00E+3 270n/an/an/a7.525



Medical College of Ohio



Assay Description
Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.


Biochemistry 42: 5333-40 (2003)


Article DOI: 10.1021/bi030031h
BindingDB Entry DOI: 10.7270/Q2HQ3X6H
More data for this
Ligand-Target Pair
tRNA synthetase (GluRS)


(Mus musculus (mouse))
BDBM18122
PNG
((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
70 -9.92n/an/an/an/an/a8.030



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


J Enzyme Inhib Med Chem 20: 61-7 (2005)


Article DOI: 10.1080/14756360400002007
BindingDB Entry DOI: 10.7270/Q2X0659C
More data for this
Ligand-Target Pair
Yersiniabactin biosynthetic protein


(Yersinia pestis)
BDBM50339905
PNG
(5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...)
Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Weill Cornell Graduate School of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...


Bioorg Med Chem Lett 26: 5340-5345 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.027
BindingDB Entry DOI: 10.7270/Q2CZ394B
More data for this
Ligand-Target Pair
Glutaminyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50366675
PNG
(CHEMBL609496)
Show SMILES NC(CCC(N)=O)C(=O)NS(=O)(=O)O[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C14H20N8O8S/c15-5(1-2-6(16)23)12(26)21-31(27,28)30-14-9(25)8(24)13(29-14)22-4-20-7-10(17)18-3-19-11(7)22/h3-5,8-9,13-14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/t5?,8-,9+,13?,14-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Universit£ Laval

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity to Glutaminyl-tRNA synthetase with respect to glutamine.


Bioorg Med Chem Lett 10: 2441-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00478-9
BindingDB Entry DOI: 10.7270/Q280533K
More data for this
Ligand-Target Pair
tRNA synthetase (GluRS)


(Escherichia coli)
BDBM18123
PNG
((5S)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)[C@H]1O
Show InChI InChI=1/C15H19N7O8S/c16-12-9-13(18-4-17-12)22(5-19-9)15-11(25)10(24)7(30-15)3-29-31(27,28)21-14(26)6-1-2-8(23)20-6/h4-7,10-11,15,24-25H,1-3H2,(H,20,23)(H,21,26)(H2,16,17,18)/t6-,7+,10+,11+,15+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+4 -6.84n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


J Enzyme Inhib Med Chem 20: 61-7 (2005)


Article DOI: 10.1080/14756360400002007
BindingDB Entry DOI: 10.7270/Q2X0659C
More data for this
Ligand-Target Pair
Histidyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50091516
PNG
(5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE | CHEMBL...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against cognate Staphylococcus aureus Histidyl-tRNA synthetase


Bioorg Med Chem Lett 10: 1871-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00360-7
BindingDB Entry DOI: 10.7270/Q2TX3FWJ
More data for this
Ligand-Target Pair
Threonyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50366646
PNG
(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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against cognate Staphylococcus aureus threonyl tRNA synthetase


Bioorg Med Chem Lett 10: 1871-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00360-7
BindingDB Entry DOI: 10.7270/Q2TX3FWJ
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
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
Show InChI InChI=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.20E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Bioorg Med Chem Lett 21: 2480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.042
BindingDB Entry DOI: 10.7270/Q26Q1XKW
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50366859
PNG
(CHEMBL605389)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(I)nc12
Show InChI InChI=1/C17H26IN7O7S/c1-4-7(2)9(19)15(28)24-33(29,30)31-5-8-11(26)12(27)16(32-8)25-6-21-10-13(20-3)22-17(18)23-14(10)25/h6-9,11-12,16,26-27H,4-5,19H2,1-3H3,(H,24,28)(H,20,22,23)/t7-,8+,9-,11+,12+,16?/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.22E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00020-9
BindingDB Entry DOI: 10.7270/Q29K4BRS
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50366861
PNG
(CHEMBL605595)
Show SMILES CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C
Show InChI InChI=1/C17H23N7O7S2/c1-3-10-21-14(19)11-15(22-10)24(7-20-11)17-13(26)12(25)9(31-17)6-30-33(28,29)23-16(27)8(18)4-5-32-2/h1,7-9,12-13,17,25-26H,4-6,18H2,2H3,(H,23,27)(H2,19,21,22)/t8-,9+,12+,13+,17?/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Methionyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00020-9
BindingDB Entry DOI: 10.7270/Q29K4BRS
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50339905
PNG
(5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...)
Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 48.5n/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by isothermal titration calorimetry assay


Bioorg Med Chem Lett 21: 2480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.042
BindingDB Entry DOI: 10.7270/Q26Q1XKW
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50366863
PNG
(CHEMBL605806)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CCSC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C21H31N7O7S2/c1-3-4-5-6-7-14-25-18(23)15-19(26-14)28(11-24-15)21-17(30)16(29)13(35-21)10-34-37(32,33)27-20(31)12(22)8-9-36-2/h11-13,16-17,21,29-30H,3-5,8-10,22H2,1-2H3,(H,27,31)(H2,23,25,26)/t12-,13+,16+,17+,21?/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Methionyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00020-9
BindingDB Entry DOI: 10.7270/Q29K4BRS
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))
BDBM50366860
PNG
(CHEMBL603509)
Show SMILES CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C15H23N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,10+,11+,15?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Met-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair
Yersiniabactin biosynthetic protein


(Yersinia pestis)
BDBM50339905
PNG
(5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...)
Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Weill Cornell Graduate School of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...


Bioorg Med Chem Lett 26: 5340-5345 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.027
BindingDB Entry DOI: 10.7270/Q2CZ394B
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
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
Show InChI InChI=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Bioorg Med Chem Lett 21: 2480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.042
BindingDB Entry DOI: 10.7270/Q26Q1XKW
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50339905
PNG
(5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...)
Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Bioorg Med Chem Lett 21: 2480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.042
BindingDB Entry DOI: 10.7270/Q26Q1XKW
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50366862
PNG
(CHEMBL605592)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C
Show InChI InChI=1/C18H25N7O7S/c1-4-8(3)11(19)17(28)24-33(29,30)31-6-9-13(26)14(27)18(32-9)25-7-21-12-15(20)22-10(5-2)23-16(12)25/h2,7-9,11,13-14,18,26-27H,4,6,19H2,1,3H3,(H,24,28)(H2,20,22,23)/t8-,9+,11-,13+,14+,18?/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined


Bioorg Med Chem Lett 13: 1087-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00020-9
BindingDB Entry DOI: 10.7270/Q29K4BRS
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18138,18122,18123,18127,50091516,50339905,50339906,50339907,50366646,50366675,50366859,50366860,50366861,50366862,50366863
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
tRNA synthetase (GlyRS)

(Bombyx mori)
BDBM18138
JPEG
(2-amino-1-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)
GoogleScholar
MMDB
PC cid
PC sid
PDB
-8.9335.6-44.76.577.2024.9



Medical College of Ohio





Biochemistry 42: 5333-40 (2003)