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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucosamine-6-phosphate synthase' AND taxid = 307796   
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-6-phosphate synthase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM86764
PNG
(N3-Oxoacyl derivative, 3)
Show SMILES N[C@@H](CNC(=O)\C=C\C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C13H14N2O4/c14-10(13(18)19)8-15-12(17)7-6-11(16)9-4-2-1-3-5-9/h1-7,10H,8,14H2,(H,15,17)(H,18,19)/b7-6+/t10-/m0/s1
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UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
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Article
PubMed
5.65E+4n/a 2.70E+5n/an/an/an/an/an/a



Gda£?sk University of Technology



Assay Description
The inhibition assay was followed under standard conditions with saturating concentrations of both substrates to determine the IC50 values.


Chembiochem 13: 85-96 (2012)

More data for this
Ligand-Target Pair
Glucosamine-6-phosphate synthase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM86766
PNG
(N3-Oxoacyl derivative, 1)
Show SMILES N[C@@H](CNC(=O)[C@@H]1O[C@H]1C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C13H14N2O5/c14-8(13(18)19)6-15-12(17)11-10(20-11)9(16)7-4-2-1-3-5-7/h1-5,8,10-11H,6,14H2,(H,15,17)(H,18,19)/t8-,10-,11+/m0/s1
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UniProtKB/TrEMBL

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PC sid
UniChem
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Article
PubMed
4.50E+5n/a 6.60E+5n/an/an/an/an/an/a



Gda£?sk University of Technology



Assay Description
The inhibition assay was followed under standard conditions with saturating concentrations of both substrates to determine the IC50 values.


Chembiochem 13: 85-96 (2012)

More data for this
Ligand-Target Pair
Glucosamine-6-phosphate synthase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM86765
PNG
(N3-Oxoacyl derivative, 4)
Show SMILES CC(=O)C=CC(=O)NC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H12N2O4/c1-5(11)2-3-7(12)10-4-6(9)8(13)14/h2-3,6H,4,9H2,1H3,(H,10,12)(H,13,14)/t6-/m0/s1
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UniProtKB/TrEMBL

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PC sid
UniChem
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Article
PubMed
1.52E+7n/a 5.60E+6n/an/an/an/an/an/a



Gda£?sk University of Technology



Assay Description
The inhibition assay was followed under standard conditions with saturating concentrations of both substrates to determine the IC50 values.


Chembiochem 13: 85-96 (2012)

More data for this
Ligand-Target Pair
Glucosamine-6-phosphate synthase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM86767
PNG
(N3-Oxoacyl derivative, 2)
Show SMILES CC(=O)[C@@H]1O[C@H]1C(=O)NC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H12N2O5/c1-3(11)5-6(15-5)7(12)10-2-4(9)8(13)14/h4-6H,2,9H2,1H3,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1
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UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.94E+7n/a 7.35E+6n/an/an/an/an/an/a



Gda£?sk University of Technology



Assay Description
The inhibition assay was followed under standard conditions with saturating concentrations of both substrates to determine the IC50 values.


Chembiochem 13: 85-96 (2012)

More data for this
Ligand-Target Pair