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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: P04806   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase


(Saccharomyces cerevisiae)
BDBM85425
PNG
(Glucosamine analog, 9)
Show SMILES Nc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C13H18N2O6/c14-7-4-2-1-3-6(7)12(19)15-9-11(18)10(17)8(5-16)21-13(9)20/h1-4,8-11,13,16-18,20H,5,14H2,(H,15,19)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 1.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85423
PNG
(Glucosamine analog, 7)
Show SMILES OCC1OC(O)C(NC(=O)c2ccccc2N(=O)=O)C(O)C1O
Show InChI InChI=1S/C13H16N2O8/c16-5-8-10(17)11(18)9(13(20)23-8)14-12(19)6-3-1-2-4-7(6)15(21)22/h1-4,8-11,13,16-18,20H,5H2,(H,14,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PubMed
n/an/a 3.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85426
PNG
(Glucosamine analog, 10)
Show SMILES Nc1cccc(c1)C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C13H18N2O6/c14-7-3-1-2-6(4-7)12(19)15-9-11(18)10(17)8(5-16)21-13(9)20/h1-4,8-11,13,16-18,20H,5,14H2,(H,15,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a 6.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85424
PNG
(Glucosamine analog, 8)
Show SMILES OCC1OC(O)C(NC(=O)c2cccc(c2)N(=O)=O)C(O)C1O
Show InChI InChI=1S/C13H16N2O8/c16-5-8-10(17)11(18)9(13(20)23-8)14-12(19)6-2-1-3-7(4-6)15(21)22/h1-4,8-11,13,16-18,20H,5H2,(H,14,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85420
PNG
(Glucosamine analog, 1)
Show SMILES OCC1OC(O)C(NC(=O)c2ccccc2)C(O)C1O
Show InChI InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PDB
UniChem

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PubMed
n/an/a 7.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85421
PNG
(Glucosamine analog, 2)
Show SMILES Cc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PDB
UniChem

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PubMed
n/an/a 8.00E+6n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair
Hexokinase


(Saccharomyces cerevisiae)
BDBM85422
PNG
(Glucosamine analog, 4)
Show SMILES CC(=O)Nc1ccccc1C(=O)NC1C(O)OC(CO)C(O)C1O
Show InChI InChI=1S/C15H20N2O7/c1-7(19)16-9-5-3-2-4-8(9)14(22)17-11-13(21)12(20)10(6-18)24-15(11)23/h2-5,10-13,15,18,20-21,23H,6H2,1H3,(H,16,19)(H,17,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80E+7n/an/an/an/a7.625



Groupe de Chimie Organique Biologique



Assay Description
The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...


J Enzym Inhib 12: 101-21 (1997)


BindingDB Entry DOI: 10.7270/Q2KD1WGF
More data for this
Ligand-Target Pair