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PubMed code 16503142

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183220
PNG
((R)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...)
Show SMILES CC(C)Oc1cc(O[C@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/m1/s1
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Article
PubMed
n/an/an/an/a 90n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activitation of glucokinase


Bioorg Med Chem Lett 16: 2705-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.022
BindingDB Entry DOI: 10.7270/Q28G8K91
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183221
PNG
((S)-6-(3-isopropoxy-5-(1-phenylethoxy)benzamido)ni...)
Show SMILES CC(C)Oc1cc(O[C@@H](C)c2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H24N2O5/c1-15(2)30-20-11-19(23(27)26-22-10-9-18(14-25-22)24(28)29)12-21(13-20)31-16(3)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,28,29)(H,25,26,27)/t16-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activitation of glucokinase


Bioorg Med Chem Lett 16: 2705-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.022
BindingDB Entry DOI: 10.7270/Q28G8K91
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183222
PNG
((S)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...)
Show SMILES CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/m0/s1
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Article
PubMed
n/an/an/an/a 20n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activitation of glucokinase


Bioorg Med Chem Lett 16: 2705-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.022
BindingDB Entry DOI: 10.7270/Q28G8K91
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183223
PNG
((S)-6-(3-isopropoxy-5-(1-methoxypropan-2-yloxy)ben...)
Show SMILES COC[C@H](C)Oc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C20H24N2O6/c1-12(2)27-16-7-15(8-17(9-16)28-13(3)11-26-4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)/t13-/m0/s1
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n/an/an/an/a 610n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activitation of glucokinase


Bioorg Med Chem Lett 16: 2705-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.022
BindingDB Entry DOI: 10.7270/Q28G8K91
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183219
PNG
((R)-6-(3-isopropoxy-5-(1-phenylethoxy)benzamido)ni...)
Show SMILES CC(C)Oc1cc(O[C@H](C)c2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H24N2O5/c1-15(2)30-20-11-19(23(27)26-22-10-9-18(14-25-22)24(28)29)12-21(13-20)31-16(3)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,28,29)(H,25,26,27)/t16-/m1/s1
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PubMed
n/an/an/an/a 950n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activitation of glucokinase


Bioorg Med Chem Lett 16: 2705-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.022
BindingDB Entry DOI: 10.7270/Q28G8K91
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183218
PNG
((R)-6-(3-isopropoxy-5-(1-methoxypropan-2-yloxy)ben...)
Show SMILES COC[C@@H](C)Oc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C20H24N2O6/c1-12(2)27-16-7-15(8-17(9-16)28-13(3)11-26-4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)/t13-/m1/s1
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PubMed
n/an/an/an/a 5.51E+3n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activitation of glucokinase


Bioorg Med Chem Lett 16: 2705-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.022
BindingDB Entry DOI: 10.7270/Q28G8K91
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%