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PubMed code 19435665

Compile data set for download or QSAR
Found 33 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))
BDBM50346004
PNG
((S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-5-methy...)
Show SMILES CC(C)S(=O)(=O)c1cc(=O)n(cc1C)[C@@H](CC1CCCC1)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C23H31N3O4S/c1-15(2)31(29,30)20-12-22(27)26(14-17(20)4)19(11-18-7-5-6-8-18)23(28)25-21-10-9-16(3)13-24-21/h9-10,12-15,18-19H,5-8,11H2,1-4H3,(H,24,25,28)/t19-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346028
PNG
((S)-3-cyclopentyl-2-(4-(cyclopropylsulfonyl)-2-oxo...)
Show SMILES Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(cc2=O)S(=O)(=O)C2CC2)n1
Show InChI InChI=1S/C20H26N4O4S/c1-23-10-9-18(22-23)21-20(26)17(12-14-4-2-3-5-14)24-11-8-16(13-19(24)25)29(27,28)15-6-7-15/h8-11,13-15,17H,2-7,12H2,1H3,(H,21,22,26)/t17-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346022
PNG
((S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopy...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccn[nH]2)c(=O)c1
Show InChI InChI=1S/C19H26N4O4S/c1-13(2)28(26,27)15-8-10-23(18(24)12-15)16(11-14-5-3-4-6-14)19(25)21-17-7-9-20-22-17/h7-10,12-14,16H,3-6,11H2,1-2H3,(H2,20,21,22,25)/t16-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346025
PNG
((S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopy...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2nccs2)c(=O)c1
Show InChI InChI=1S/C19H25N3O4S2/c1-13(2)28(25,26)15-7-9-22(17(23)12-15)16(11-14-5-3-4-6-14)18(24)21-19-20-8-10-27-19/h7-10,12-14,16H,3-6,11H2,1-2H3,(H,20,21,24)/t16-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346000
PNG
((S)-2-(4-(cyclobutylsulfonyl)-2-oxopyridin-1(2H)-y...)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(cc2=O)S(=O)(=O)C2CCC2)nc1
Show InChI InChI=1S/C23H29N3O4S/c1-16-9-10-21(24-15-16)25-23(28)20(13-17-5-2-3-6-17)26-12-11-19(14-22(26)27)31(29,30)18-7-4-8-18/h9-12,14-15,17-18,20H,2-8,13H2,1H3,(H,24,25,28)/t20-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346005
PNG
((S)-3-(4,4-difluorocyclohexyl)-2-(4-(isopropylsulf...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCC(F)(F)CC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
Show InChI InChI=1S/C23H29F2N3O4S/c1-15(2)33(31,32)18-8-11-28(21(29)13-18)19(12-17-6-9-23(24,25)10-7-17)22(30)27-20-5-4-16(3)14-26-20/h4-5,8,11,13-15,17,19H,6-7,9-10,12H2,1-3H3,(H,26,27,30)/t19-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346016
PNG
((S)-2-(4-(cyclobutylsulfonyl)-2-oxopyridin-1(2H)-y...)
Show SMILES O=C(Nc1cnccn1)[C@H](CC1CCCC1)n1ccc(cc1=O)S(=O)(=O)C1CCC1
Show InChI InChI=1S/C21H26N4O4S/c26-20-13-17(30(28,29)16-6-3-7-16)8-11-25(20)18(12-15-4-1-2-5-15)21(27)24-19-14-22-9-10-23-19/h8-11,13-16,18H,1-7,12H2,(H,23,24,27)/t18-/m0/s1
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n/an/an/an/a 590n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346017
PNG
((S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopy...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccccn2)c(=O)c1
Show InChI InChI=1S/C21H27N3O4S/c1-15(2)29(27,28)17-10-12-24(20(25)14-17)18(13-16-7-3-4-8-16)21(26)23-19-9-5-6-11-22-19/h5-6,9-12,14-16,18H,3-4,7-8,13H2,1-2H3,(H,22,23,26)/t18-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346019
PNG
((S)-3-cyclobutyl-2-(4-(isopropylsulfonyl)-2-oxopyr...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
Show InChI InChI=1S/C21H27N3O4S/c1-14(2)29(27,28)17-9-10-24(20(25)12-17)18(11-16-5-4-6-16)21(26)23-19-8-7-15(3)13-22-19/h7-10,12-14,16,18H,4-6,11H2,1-3H3,(H,22,23,26)/t18-/m0/s1
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n/an/an/an/a 670n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346026
PNG
((R)-2-(3-chloro-4-(methylsulfonyl)phenyl)-3-((R)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)Nc1cnccn1
Show InChI InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1
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n/an/an/an/a 1.42E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50251391
PNG
((2R)-2-(4-Cyclopropanesulfonylphenyl)-N-(5-fluorot...)
Show SMILES Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CC2)s1
Show InChI InChI=1S/C20H23FN2O4S2/c21-18-12-22-20(28-18)23-19(24)17(11-13-7-9-27-10-8-13)14-1-3-15(4-2-14)29(25,26)16-5-6-16/h1-4,12-13,16-17H,5-11H2,(H,22,23,24)/t17-/m1/s1
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n/an/an/an/a 180n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346009
PNG
((S)-2-(4-(cyclobutylsulfonyl)-2-oxopyridin-1(2H)-y...)
Show SMILES Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(cc2=O)S(=O)(=O)C2CCC2)n1
Show InChI InChI=1S/C21H28N4O4S/c1-24-11-10-19(23-24)22-21(27)18(13-15-5-2-3-6-15)25-12-9-17(14-20(25)26)30(28,29)16-7-4-8-16/h9-12,14-16,18H,2-8,13H2,1H3,(H,22,23,27)/t18-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346014
PNG
((S)-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl...)
Show SMILES CC(C)C[C@@H](C(=O)Nc1ccc(C)cn1)n1ccc(cc1=O)S(=O)(=O)C(C)C
Show InChI InChI=1S/C20H27N3O4S/c1-13(2)10-17(20(25)22-18-7-6-15(5)12-21-18)23-9-8-16(11-19(23)24)28(26,27)14(3)4/h6-9,11-14,17H,10H2,1-5H3,(H,21,22,25)/t17-/m0/s1
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n/an/an/an/a 510n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346015
PNG
((S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-(4-(m...)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(cc2=O)S(C)(=O)=O)nc1
Show InChI InChI=1S/C20H25N3O4S/c1-14-7-8-18(21-13-14)22-20(25)17(11-15-5-3-4-6-15)23-10-9-16(12-19(23)24)28(2,26)27/h7-10,12-13,15,17H,3-6,11H2,1-2H3,(H,21,22,25)/t17-/m0/s1
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n/an/an/an/a 560n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346030
PNG
((S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-(4-(m...)
Show SMILES Cc1cnc(NC(=O)[C@H](CC2CCCC2)n2ccc(cc2=O)S(C)(=O)=O)cn1
Show InChI InChI=1S/C19H24N4O4S/c1-13-11-21-17(12-20-13)22-19(25)16(9-14-5-3-4-6-14)23-8-7-15(10-18(23)24)28(2,26)27/h7-8,10-12,14,16H,3-6,9H2,1-2H3,(H,21,22,25)/t16-/m0/s1
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n/an/an/an/a 3.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346001
PNG
((S)-3-cyclopentyl-2-(4-(cyclopropylsulfonyl)-2-oxo...)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(cc2=O)S(=O)(=O)C2CC2)nc1
Show InChI InChI=1S/C22H27N3O4S/c1-15-6-9-20(23-14-15)24-22(27)19(12-16-4-2-3-5-16)25-11-10-18(13-21(25)26)30(28,29)17-7-8-17/h6,9-11,13-14,16-17,19H,2-5,7-8,12H2,1H3,(H,23,24,27)/t19-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346008
PNG
((S)-2-(5-chloro-4-(isopropylsulfonyl)-2-oxopyridin...)
Show SMILES CC(C)S(=O)(=O)c1cc(=O)n(cc1Cl)[C@@H](CC1CCCC1)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C22H28ClN3O4S/c1-14(2)31(29,30)19-11-21(27)26(13-17(19)23)18(10-16-6-4-5-7-16)22(28)25-20-9-8-15(3)12-24-20/h8-9,11-14,16,18H,4-7,10H2,1-3H3,(H,24,25,28)/t18-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346006
PNG
((S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopy...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
Show InChI InChI=1S/C22H29N3O4S/c1-15(2)30(28,29)18-10-11-25(21(26)13-18)19(12-17-6-4-5-7-17)22(27)24-20-9-8-16(3)14-23-20/h8-11,13-15,17,19H,4-7,12H2,1-3H3,(H,23,24,27)/t19-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346013
PNG
((S)-2-(5-chloro-4-(methylsulfonyl)-2-oxopyridin-1(...)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(Cl)c(cc2=O)S(C)(=O)=O)nc1
Show InChI InChI=1S/C20H24ClN3O4S/c1-13-7-8-18(22-11-13)23-20(26)16(9-14-5-3-4-6-14)24-12-15(21)17(10-19(24)25)29(2,27)28/h7-8,10-12,14,16H,3-6,9H2,1-2H3,(H,22,23,26)/t16-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346018
PNG
(2-amino-4-fluoro-5-(1-methyl-1H-imidazol-2-ylthio)...)
Show SMILES Cc1csc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)n1
Show InChI InChI=1S/C15H14FN5OS2/c1-8-7-23-14(19-8)20-13(22)9-5-12(10(16)6-11(9)17)24-15-18-3-4-21(15)2/h3-7H,17H2,1-2H3,(H,19,20,22)
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n/an/an/an/a 620n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50320996
PNG
(6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346007
PNG
((S)-3-cyclohexyl-2-(4-(isopropylsulfonyl)-2-oxopyr...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
Show InChI InChI=1S/C23H31N3O4S/c1-16(2)31(29,30)19-11-12-26(22(27)14-19)20(13-18-7-5-4-6-8-18)23(28)25-21-10-9-17(3)15-24-21/h9-12,14-16,18,20H,4-8,13H2,1-3H3,(H,24,25,28)/t20-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346011
PNG
((S)-3-cyclopentyl-2-(5-methyl-4-(methylsulfonyl)-2...)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(cc2=O)S(C)(=O)=O)nc1
Show InChI InChI=1S/C21H27N3O4S/c1-14-8-9-19(22-12-14)23-21(26)17(10-16-6-4-5-7-16)24-13-15(2)18(11-20(24)25)29(3,27)28/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,22,23,26)/t17-/m0/s1
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n/an/an/an/a 440n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346023
PNG
((S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopy...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccn(C)n2)c(=O)c1
Show InChI InChI=1S/C20H28N4O4S/c1-14(2)29(27,28)16-8-11-24(19(25)13-16)17(12-15-6-4-5-7-15)20(26)21-18-9-10-23(3)22-18/h8-11,13-15,17H,4-7,12H2,1-3H3,(H,21,22,26)/t17-/m0/s1
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n/an/an/an/a 910n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346027
PNG
((S)-2-(4-(ethylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-...)
Show SMILES CCS(=O)(=O)c1ccn([C@@H](CC2CCOCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
Show InChI InChI=1S/C21H27N3O5S/c1-3-30(27,28)17-6-9-24(20(25)13-17)18(12-16-7-10-29-11-8-16)21(26)23-19-5-4-15(2)14-22-19/h4-6,9,13-14,16,18H,3,7-8,10-12H2,1-2H3,(H,22,23,26)/t18-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346029
PNG
((S)-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)cn2)c(=O)c1
Show InChI InChI=1S/C23H25N3O4S/c1-16(2)31(29,30)19-11-12-26(22(27)14-19)20(13-18-7-5-4-6-8-18)23(28)25-21-10-9-17(3)15-24-21/h4-12,14-16,20H,13H2,1-3H3,(H,24,25,28)/t20-/m0/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346010
PNG
((S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopy...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(=O)c1
Show InChI InChI=1S/C22H26F3N3O4S/c1-14(2)33(31,32)17-9-10-28(20(29)12-17)18(11-15-5-3-4-6-15)21(30)27-19-8-7-16(13-26-19)22(23,24)25/h7-10,12-15,18H,3-6,11H2,1-2H3,(H,26,27,30)/t18-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346012
PNG
((S)-3-cyclopentyl-2-(4-(ethylsulfonyl)-2-oxopyridi...)
Show SMILES CCS(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
Show InChI InChI=1S/C21H27N3O4S/c1-3-29(27,28)17-10-11-24(20(25)13-17)18(12-16-6-4-5-7-16)21(26)23-19-9-8-15(2)14-22-19/h8-11,13-14,16,18H,3-7,12H2,1-2H3,(H,22,23,26)/t18-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346021
PNG
((S)-2-(5-chloro-4-(isopropylsulfonyl)-2-oxopyridin...)
Show SMILES CC(C)S(=O)(=O)c1cc(=O)n(cc1Cl)[C@@H](CC1CCCC1)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C21H27ClN4O4S/c1-13(2)31(29,30)18-9-20(27)26(12-16(18)22)17(8-15-6-4-5-7-15)21(28)25-19-11-23-14(3)10-24-19/h9-13,15,17H,4-8H2,1-3H3,(H,24,25,28)/t17-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346002
PNG
((S)-2-(3-chloro-4-(isopropylsulfonyl)-2-oxopyridin...)
Show SMILES CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1Cl
Show InChI InChI=1S/C22H28ClN3O4S/c1-14(2)31(29,30)18-10-11-26(22(28)20(18)23)17(12-16-6-4-5-7-16)21(27)25-19-9-8-15(3)13-24-19/h8-11,13-14,16-17H,4-7,12H2,1-3H3,(H,24,25,27)/t17-/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346003
PNG
((S)-2-(5-chloro-4-(methylsulfonyl)-2-oxopyridin-1(...)
Show SMILES CS(=O)(=O)c1cc(=O)n(cc1Cl)[C@@H](CC1CCCC1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C19H21Cl2N3O4S/c1-29(27,28)16-9-18(25)24(11-14(16)21)15(8-12-4-2-3-5-12)19(26)23-17-7-6-13(20)10-22-17/h6-7,9-12,15H,2-5,8H2,1H3,(H,22,23,26)/t15-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346024
PNG
((S)-3-cyclopentyl-2-(4-(cyclopropylsulfonyl)-2-oxo...)
Show SMILES O=C(Nc1cnccn1)[C@H](CC1CCCC1)n1ccc(cc1=O)S(=O)(=O)C1CC1
Show InChI InChI=1S/C20H24N4O4S/c25-19-12-16(29(27,28)15-5-6-15)7-10-24(19)17(11-14-3-1-2-4-14)20(26)23-18-13-21-8-9-22-18/h7-10,12-15,17H,1-6,11H2,(H,22,23,26)/t17-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1
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n/an/an/an/a 690n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Bioorg Med Chem Lett 19: 3247-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.107
BindingDB Entry DOI: 10.7270/Q2PZ595B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%