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PubMed code 24015910

Compile data set for download or QSAR
Found 18 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))
BDBM50441148
PNG
(CHEMBL2430867)
Show SMILES Cc1csc(Nc2ncccc2OCc2cccc3cccnc23)n1
Show InChI InChI=1S/C19H16N4OS/c1-13-12-25-19(22-13)23-18-16(8-4-10-21-18)24-11-15-6-2-5-14-7-3-9-20-17(14)15/h2-10,12H,11H2,1H3,(H,21,22,23)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441149
PNG
(CHEMBL2430866)
Show SMILES Cc1csc(Nc2ncccc2OCc2cccc(O)c2)n1
Show InChI InChI=1S/C16H15N3O2S/c1-11-10-22-16(18-11)19-15-14(6-3-7-17-15)21-9-12-4-2-5-13(20)8-12/h2-8,10,20H,9H2,1H3,(H,17,18,19)
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n/an/an/an/a 3.44E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441156
PNG
(CHEMBL2430860)
Show SMILES Cc1csc(Nc2ncc(SCc3ccccn3)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C22H20N4OS2/c1-16-14-29-22(25-16)26-21-20(27-13-17-7-3-2-4-8-17)11-19(12-24-21)28-15-18-9-5-6-10-23-18/h2-12,14H,13,15H2,1H3,(H,24,25,26)
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n/an/an/an/a 77n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441146
PNG
(CHEMBL2430852)
Show SMILES CCc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C17H16BrN3OS/c1-2-14-11-23-17(20-14)21-16-15(8-13(18)9-19-16)22-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,19,20,21)
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n/an/an/an/a 562n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441154
PNG
(CHEMBL2430862)
Show SMILES CC(C)c1csc(Nc2ncc(SCCn3ccnc3)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C23H25N5OS2/c1-17(2)20-15-31-23(26-20)27-22-21(29-14-18-6-4-3-5-7-18)12-19(13-25-22)30-11-10-28-9-8-24-16-28/h3-9,12-13,15-17H,10-11,14H2,1-2H3,(H,25,26,27)
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n/an/an/an/a 119n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441144
PNG
(CHEMBL2430854)
Show SMILES CC(C)Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C19H20BrN3OS/c1-13(2)8-16-12-25-19(22-16)23-18-17(9-15(20)10-21-18)24-11-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,22,23)
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n/an/an/an/a 356n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441145
PNG
(CHEMBL2430853)
Show SMILES CC(C)c1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C18H18BrN3OS/c1-12(2)15-11-24-18(21-15)22-17-16(8-14(19)9-20-17)23-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
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n/an/an/an/a 240n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441147
PNG
(CHEMBL2430851)
Show SMILES Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C16H14BrN3OS/c1-11-10-22-16(19-11)20-15-14(7-13(17)8-18-15)21-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,20)
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n/an/an/an/a 687n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441157
PNG
(CHEMBL2430859)
Show SMILES Cc1csc(Nc2ncc(SCc3ccccc3)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C23H21N3OS2/c1-17-15-29-23(25-17)26-22-21(27-14-18-8-4-2-5-9-18)12-20(13-24-22)28-16-19-10-6-3-7-11-19/h2-13,15H,14,16H2,1H3,(H,24,25,26)
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n/an/an/an/a 235n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441141
PNG
(CHEMBL2430857)
Show SMILES Cc1csc(Nc2ncc(Sc3ccccc3)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C22H19N3OS2/c1-16-15-27-22(24-16)25-21-20(26-14-17-8-4-2-5-9-17)12-19(13-23-21)28-18-10-6-3-7-11-18/h2-13,15H,14H2,1H3,(H,23,24,25)
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n/an/an/an/a 208n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441142
PNG
(CHEMBL2430856)
Show SMILES Cc1csc(Nc2ncc(Cl)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C16H14ClN3OS/c1-11-10-22-16(19-11)20-15-14(7-13(17)8-18-15)21-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,20)
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n/an/an/an/a 796n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441151
PNG
(CHEMBL2430864)
Show SMILES Cc1csc(Nc2ncccc2OCc2ccccn2)n1
Show InChI InChI=1S/C15H14N4OS/c1-11-10-21-15(18-11)19-14-13(6-4-8-17-14)20-9-12-5-2-3-7-16-12/h2-8,10H,9H2,1H3,(H,17,18,19)
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n/an/an/an/a 1.23E+4n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441153
PNG
(CHEMBL2430863)
Show SMILES COc1cccc(COc2cccnc2Nc2nc(C)cs2)c1
Show InChI InChI=1S/C17H17N3O2S/c1-12-11-23-17(19-12)20-16-15(7-4-8-18-16)22-10-13-5-3-6-14(9-13)21-2/h3-9,11H,10H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 3.22E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441155
PNG
(CHEMBL2430861)
Show SMILES Cc1csc(Nc2ncc(SCCn3ccnc3)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C21H21N5OS2/c1-16-14-29-21(24-16)25-20-19(27-13-17-5-3-2-4-6-17)11-18(12-23-20)28-10-9-26-8-7-22-15-26/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,23,24,25)
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n/an/an/an/a 325n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441140
PNG
(CHEMBL2430858)
Show SMILES Cc1csc(Nc2ncc(Sc3ccccn3)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C21H18N4OS2/c1-15-14-27-21(24-15)25-20-18(26-13-16-7-3-2-4-8-16)11-17(12-23-20)28-19-9-5-6-10-22-19/h2-12,14H,13H2,1H3,(H,23,24,25)
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n/an/an/an/a 231n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441152
PNG
(CHEMBL2430868)
Show SMILES Cc1csc(Nc2ncccc2OCc2ccccc2)n1
Show InChI InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)
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n/an/an/an/a 4.94E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441143
PNG
(CHEMBL2430855)
Show SMILES Cc1csc(Nc2ncc(C)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C17H17N3OS/c1-12-8-15(21-10-14-6-4-3-5-7-14)16(18-9-12)20-17-19-13(2)11-22-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 2.64E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50441150
PNG
(CHEMBL2430865)
Show SMILES Cc1csc(Nc2ncccc2OCc2cccnc2)n1
Show InChI InChI=1S/C15H14N4OS/c1-11-10-21-15(18-11)19-14-13(5-3-7-17-14)20-9-12-4-2-6-16-8-12/h2-8,10H,9H2,1H3,(H,17,18,19)
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n/an/an/an/a 7.78E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%