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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
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
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.


Citation and Details
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
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.


Citation and Details
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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair