Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50034897
TargetGlutamine--tRNA ligase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290175(4-ammonio-5-{[(2R,4S,6S)-4-hydroxy-6-(hydroxymethy...)
Show SMILES [NH3+]C(CCC([O-])=O)C(=O)OC[C@H]1C[C@@H](O)C[C@@H](CO)N1
Show InChI InChI=1S/C12H22N2O6/c13-10(1-2-11(17)18)12(19)20-6-8-4-9(16)3-7(5-15)14-8/h7-10,14-16H,1-6,13H2,(H,17,18)/t7-,8+,9-,10?/m0/s1
Affinity DataKi:  2.00E+4nMAssay Description:Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetaseMore data for this Ligand-Target Pair
TargetTyrosine--tRNA ligase, cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM20461((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
Affinity DataKi:  4.20E+4nMAssay Description:Compound was tested for the inhibition of aminoacyl tRNA SynthetaseMore data for this Ligand-Target Pair
TargetGlutamine--tRNA ligase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50290174(4-ammonio-5-{[(2R,6S)-6-(hydroxymethyl)piperidin-2...)
Show SMILES [NH3+]C(CCC([O-])=O)C(=O)OC[C@H]1CCC[C@@H](CO)N1
Show InChI InChI=1S/C12H22N2O5/c13-10(4-5-11(16)17)12(18)19-7-9-3-1-2-8(6-15)14-9/h8-10,14-15H,1-7,13H2,(H,16,17)/t8-,9+,10?/m0/s1
Affinity DataKi:  2.30E+5nMAssay Description:Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetaseMore data for this Ligand-Target Pair
TargetGlutamine--tRNA ligase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50403640(CHEMBL2115178)
Show SMILES NC(CCC(O)=O)C(=O)OC[C@H]1CCCN1
Show InChI InChI=1S/C10H18N2O4/c11-8(3-4-9(13)14)10(15)16-6-7-2-1-5-12-7/h7-8,12H,1-6,11H2,(H,13,14)/t7-,8?/m1/s1
Affinity DataKi:  3.80E+5nMAssay Description:Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetaseMore data for this Ligand-Target Pair
TargetGlutamine--tRNA ligase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50366478(CHEMBL609498)
Show SMILES NC(CCC(O)=O)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H17NO8/c11-4(1-2-6(12)13)9(16)18-3-5-7(14)8(15)10(17)19-5/h4-5,7-8,10,14-15,17H,1-3,11H2,(H,12,13)/t4?,5-,7-,8-,10?/m1/s1
Affinity DataKi:  5.00E+5nMAssay Description:Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetaseMore data for this Ligand-Target Pair
TargetGlutamine--tRNA ligase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50403639(CHEMBL2114154)
Show SMILES NC(CCC(O)=O)C(=O)OC[C@@H]1CCCN1
Show InChI InChI=1S/C10H18N2O4/c11-8(3-4-9(13)14)10(15)16-6-7-2-1-5-12-7/h7-8,12H,1-6,11H2,(H,13,14)/t7-,8?/m0/s1
Affinity DataKi:  1.14E+7nMAssay Description:Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetaseMore data for this Ligand-Target Pair