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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1' AND taxid = 9606   
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
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356009
PNG
(CHEMBL1911368)
Show SMILES COc1cc2c(CNS(=O)(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23F3N2O6S/c1-13(2)34-16-7-5-6-14(8-16)22(29)21-18-10-20(33-4)19(32-3)9-17(18)15(11-27-21)12-28-35(30,31)23(24,25)26/h5-11,13,28H,12H2,1-4H3
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300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of GFAT in presence of fructose-6-phosphate


Bioorg Med Chem Lett 21: 6264-9 (2011)

More data for this
Ligand-Target Pair
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356009
PNG
(CHEMBL1911368)
Show SMILES COc1cc2c(CNS(=O)(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23F3N2O6S/c1-13(2)34-16-7-5-6-14(8-16)22(29)21-18-10-20(33-4)19(32-3)9-17(18)15(11-27-21)12-28-35(30,31)23(24,25)26/h5-11,13,28H,12H2,1-4H3
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300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of GFAT in presence of glutamine


Bioorg Med Chem Lett 21: 6264-9 (2011)

More data for this
Ligand-Target Pair
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356010
PNG
(CHEMBL1911372)
Show SMILES N[C@@H](CNC(=O)CBr)C(O)=O
Show InChI InChI=1S/C5H9BrN2O3/c6-1-4(9)8-2-3(7)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of GFAT


Bioorg Med Chem Lett 21: 6264-9 (2011)

More data for this
Ligand-Target Pair
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356011
PNG
(CHEMBL1911373)
Show SMILES COC(=O)\C=C\C(=O)NC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H12N2O5/c1-15-7(12)3-2-6(11)10-4-5(9)8(13)14/h2-3,5H,4,9H2,1H3,(H,10,11)(H,13,14)/b3-2+/t5-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of GFAT


Bioorg Med Chem Lett 21: 6264-9 (2011)

More data for this
Ligand-Target Pair
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356012
PNG
(AAPTAMINE)
Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23
Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3
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n/an/a 1.20E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of GFAT using N-acetylglucosamine 6-phosphate as substrate


Bioorg Med Chem Lett 21: 6264-9 (2011)

More data for this
Ligand-Target Pair