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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Aminoacyl-tRNA synthetase' AND taxid = 274   
Target
(Institution)
LigandTarget
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
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM19
PNG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Show SMILES NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
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PubMed
n/an/an/a 5n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43823
PNG
(Kanamycin A, 1 | MLS000531200 | N-(2,3-dihydro-1,4...)
Show SMILES O=C(Nc1ccc2OCCOc2c1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22N2O5S/c23-20(21-16-7-8-18-19(14-16)27-12-11-26-18)15-5-4-6-17(13-15)28(24,25)22-9-2-1-3-10-22/h4-8,13-14H,1-3,9-12H2,(H,21,23)
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n/an/an/a 1.10E+3n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43826
PNG
(2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimi...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc2n(c(SC(C)C(N)=O)nc2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O4S2/c1-5-24(6-2)31(27,28)17-11-12-19-18(13-17)23-21(30-14(3)20(22)26)25(19)15-7-9-16(29-4)10-8-15/h7-14H,5-6H2,1-4H3,(H2,22,26)
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PubMed
n/an/an/a 6.00E+5n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43825
PNG
((Z)-3-(3-chloro-2-methyl-anilino)-2-[3-chloro-5-(t...)
Show SMILES COC(=O)C(C=Nc1cccc(Cl)c1C)c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H13Cl2F3N2O2/c1-9-12(18)4-3-5-14(9)23-8-11(16(25)26-2)15-13(19)6-10(7-24-15)17(20,21)22/h3-8,11H,1-2H3
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n/an/an/a 2.00E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43827
PNG
((E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-18(23)12-11-17-14-21(13-15-7-3-1-4-8-15)20-19(17)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,22,23)/b12-11+
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PubMed
n/an/an/a 1.70E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43824
PNG
(Aminoglycosides, 2 | MLS000533892 | N-[(E)-N''''-(...)
Show SMILES CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1
Show InChI InChI=1S/C13H16N4OS/c1-8(2)7-11(18)16-12(14)17-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18)
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PubMed
n/an/an/a 1.30E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)

More data for this
Ligand-Target Pair