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Patent code US9527838

Compile Data Set for Download or QSAR
Found 54 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-4


(Homo sapiens (Human))		BDBM260378
PNG
(US9527838, 6)
Show SMILES COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(SCC(C)(C)C(O)=O)s2)cc1
Show InChI InChI=1S/C24H24N6O4S4/c1-24(2,21(32)33)12-35-18-11-25-22(38-18)28-20(31)19-16(36-15-7-5-14(34-4)6-8-15)9-10-17(27-19)37-23-29-26-13-30(23)3/h5-11,13H,12H2,1-4H3,(H,32,33)(H,25,28,31)
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n/an/an/an/a 16n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260419
PNG
(US9527838, 47)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(cc2)C(F)(F)F)c(n1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C21H15F3N6O3S3/c1-30-10-25-29-20(30)36-15-7-6-14(35-13-4-2-11(3-5-13)21(22,23)24)17(27-15)18(33)28-19-26-12(9-34-19)8-16(31)32/h2-7,9-10H,8H2,1H3,(H,31,32)(H,26,28,33)
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n/an/an/an/a 222n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260400
PNG
(US9527838, 28)
Show SMILES OC(=O)CSc1cnc(NC(=O)c2nc(Sc3ccc(F)cc3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C23H15F2N3O3S4/c24-13-1-5-15(6-2-13)33-17-9-10-18(34-16-7-3-14(25)4-8-16)27-21(17)22(31)28-23-26-11-20(35-23)32-12-19(29)30/h1-11H,12H2,(H,29,30)(H,26,28,31)
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n/an/an/an/a 172n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260413
PNG
(US9527838, 41)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)sc1Cl
Show InChI InChI=1S/C23H18ClF3N6O3S3/c1-3-36-17(34)10-14-19(24)39-21(29-14)31-20(35)18-15(37-13-6-4-12(5-7-13)23(25,26)27)8-9-16(30-18)38-22-32-28-11-33(22)2/h4-9,11H,3,10H2,1-2H3,(H,29,31,35)
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n/an/an/an/a 18.9n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260425
PNG
(US9527838, 53)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(Cl)c(Cl)c2)sc1Cl
Show InChI InChI=1S/C22H17Cl3N6O3S3/c1-3-34-17(32)9-14-19(25)37-21(27-14)29-20(33)18-15(35-11-4-5-12(23)13(24)8-11)6-7-16(28-18)36-22-30-26-10-31(22)2/h4-8,10H,3,9H2,1-2H3,(H,27,29,33)
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n/an/an/an/a 7.60n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260373
PNG
(US9527838, 1)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC)cc2)s1
Show InChI InChI=1S/C23H22N6O4S4/c1-4-33-18(30)12-34-19-11-24-22(37-19)27-21(31)20-16(35-15-7-5-14(32-3)6-8-15)9-10-17(26-20)36-23-28-25-13-29(23)2/h5-11,13H,4,12H2,1-3H3,(H,24,27,31)
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n/an/an/an/a 7.5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260374
PNG
(US9527838, 2)
Show SMILES COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(SCC(O)=O)s2)cc1
Show InChI InChI=1S/C21H18N6O4S4/c1-27-11-23-26-21(27)34-15-8-7-14(33-13-5-3-12(31-2)4-6-13)18(24-15)19(30)25-20-22-9-17(35-20)32-10-16(28)29/h3-9,11H,10H2,1-2H3,(H,28,29)(H,22,25,30)
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n/an/an/an/a 56.8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260398
PNG
(US9527838, 26)
Show SMILES CCOP(=O)(Cc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1)OCC
Show InChI InChI=1S/C23H24FN6O4PS3/c1-4-33-35(32,34-5-2)13-17-12-25-22(37-17)28-21(31)20-18(36-16-8-6-15(24)7-9-16)10-11-19(27-20)38-23-29-26-14-30(23)3/h6-12,14H,4-5,13H2,1-3H3,(H,25,28,31)
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n/an/an/an/a 136n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260407
PNG
(US9527838, 35)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C24H19FN4O3S4/c1-2-32-20(30)14-33-21-13-27-24(36-21)29-23(31)22-17(34-16-8-6-15(25)7-9-16)10-11-19(28-22)35-18-5-3-4-12-26-18/h3-13H,2,14H2,1H3,(H,27,29,31)
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n/an/an/an/a 83.8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260410
PNG
(US9527838, 38)
Show SMILES CC(C)(CSc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1)C(O)=O
Show InChI InChI=1S/C25H21FN4O3S4/c1-25(2,23(32)33)14-34-20-13-28-24(37-20)30-22(31)21-17(35-16-8-6-15(26)7-9-16)10-11-19(29-21)36-18-5-3-4-12-27-18/h3-13H,14H2,1-2H3,(H,32,33)(H,28,30,31)
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n/an/an/an/a 32n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260412
PNG
(US9527838, 40)
Show SMILES OC(=O)CCc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C23H17FN4O3S3/c24-14-4-6-15(7-5-14)32-17-9-10-19(34-18-3-1-2-12-25-18)27-21(17)22(31)28-23-26-13-16(33-23)8-11-20(29)30/h1-7,9-10,12-13H,8,11H2,(H,29,30)(H,26,28,31)
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n/an/an/an/a 428n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260415
PNG
(US9527838, 43)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C23H19F3N6O3S4/c1-3-35-17(33)11-36-18-10-27-21(39-18)30-20(34)19-15(37-14-6-4-13(5-7-14)23(24,25)26)8-9-16(29-19)38-22-31-28-12-32(22)2/h4-10,12H,3,11H2,1-2H3,(H,27,30,34)
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n/an/an/an/a 28.3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260379
PNG
(US9527838, 7)
Show SMILES COC(=O)CCc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC)cc2)s1
Show InChI InChI=1S/C23H22N6O4S3/c1-29-13-25-28-23(29)36-18-10-9-17(34-15-6-4-14(32-2)5-7-15)20(26-18)21(31)27-22-24-12-16(35-22)8-11-19(30)33-3/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,24,27,31)
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n/an/an/an/a 23.4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260385
PNG
(US9527838, 13)
Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2nc(CC(O)=O)c(Cl)s2)cc1
Show InChI InChI=1S/C23H17ClN4O4S3/c1-32-13-5-7-14(8-6-13)33-16-9-10-18(34-17-4-2-3-11-25-17)27-20(16)22(31)28-23-26-15(12-19(29)30)21(24)35-23/h2-11H,12H2,1H3,(H,29,30)(H,26,28,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260399
PNG
(US9527838, 27)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3ccc(F)cc3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C25H19F2N3O3S4/c1-2-33-21(31)14-34-22-13-28-25(37-22)30-24(32)23-19(35-17-7-3-15(26)4-8-17)11-12-20(29-23)36-18-9-5-16(27)6-10-18/h3-13H,2,14H2,1H3,(H,28,30,32)
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n/an/an/an/a 387n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260416
PNG
(US9527838, 44)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(cc2)C(F)(F)F)c(n1)C(=O)Nc1ncc(SCC(O)=O)s1
Show InChI InChI=1S/C21H15F3N6O3S4/c1-30-10-26-29-20(30)36-14-7-6-13(35-12-4-2-11(3-5-12)21(22,23)24)17(27-14)18(33)28-19-25-8-16(37-19)34-9-15(31)32/h2-8,10H,9H2,1H3,(H,31,32)(H,25,28,33)
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n/an/an/an/a 33.7n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260418
PNG
(US9527838, 46)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H19F3N6O3S3/c1-3-35-18(33)10-14-11-36-21(28-14)30-20(34)19-16(37-15-6-4-13(5-7-15)23(24,25)26)8-9-17(29-19)38-22-31-27-12-32(22)2/h4-9,11-12H,3,10H2,1-2H3,(H,28,30,34)
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n/an/an/an/a 66.3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260422
PNG
(US9527838, 50)
Show SMILES CCOP(=O)(Cc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(Cl)c(Cl)c2)s1)OCC
Show InChI InChI=1S/C23H23Cl2N6O4PS3/c1-4-34-36(33,35-5-2)12-15-11-26-22(38-15)29-21(32)20-18(37-14-6-7-16(24)17(25)10-14)8-9-19(28-20)39-23-30-27-13-31(23)3/h6-11,13H,4-5,12H2,1-3H3,(H,26,29,32)
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n/an/an/an/a 57.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260424
PNG
(US9527838, 52)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(Cl)c(Cl)c2)c(n1)C(=O)Nc1ncc(SCC(O)=O)s1
Show InChI InChI=1S/C20H14Cl2N6O3S4/c1-28-9-24-27-20(28)34-14-5-4-13(33-10-2-3-11(21)12(22)6-10)17(25-14)18(31)26-19-23-7-16(35-19)32-8-15(29)30/h2-7,9H,8H2,1H3,(H,29,30)(H,23,26,31)
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n/an/an/an/a 16.6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260426
PNG
(US9527838, 54)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(Cl)c(Cl)c2)c(n1)C(=O)Nc1nc(CC(O)=O)c(Cl)s1
Show InChI InChI=1S/C20H13Cl3N6O3S3/c1-29-8-24-28-20(29)34-14-5-4-13(33-9-2-3-10(21)11(22)6-9)16(26-14)18(32)27-19-25-12(7-15(30)31)17(23)35-19/h2-6,8H,7H2,1H3,(H,30,31)(H,25,27,32)
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n/an/an/an/a 23.3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260383
PNG
(US9527838, 11)
Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(SCC(O)=O)s2)cc1
Show InChI InChI=1S/C23H18N4O4S4/c1-31-14-5-7-15(8-6-14)33-16-9-10-18(34-17-4-2-3-11-24-17)26-21(16)22(30)27-23-25-12-20(35-23)32-13-19(28)29/h2-12H,13H2,1H3,(H,28,29)(H,25,27,30)
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n/an/an/an/a 10.9n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260388
PNG
(US9527838, 16)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(OC)cc2)n1
Show InChI InChI=1S/C25H22N4O4S3/c1-3-33-22(30)14-16-15-34-25(27-16)29-24(31)23-19(35-18-9-7-17(32-2)8-10-18)11-12-21(28-23)36-20-6-4-5-13-26-20/h4-13,15H,3,14H2,1-2H3,(H,27,29,31)
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n/an/an/an/a 275n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260395
PNG
(US9527838, 23)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(n1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C20H15FN6O3S3/c1-27-10-22-26-20(27)33-15-7-6-14(32-13-4-2-11(21)3-5-13)17(24-15)18(30)25-19-23-12(9-31-19)8-16(28)29/h2-7,9-10H,8H2,1H3,(H,28,29)(H,23,25,30)
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n/an/an/an/a 137n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260420
PNG
(US9527838, 48)
Show SMILES COC(=O)CCc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C23H19F3N6O3S3/c1-32-12-28-31-22(32)38-17-9-8-16(36-14-5-3-13(4-6-14)23(24,25)26)19(29-17)20(34)30-21-27-11-15(37-21)7-10-18(33)35-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,27,30,34)
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n/an/an/an/a 71.8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260421
PNG
(US9527838, 49)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(cc2)C(F)(F)F)c(n1)C(=O)Nc1ncc(CCC(O)=O)s1
Show InChI InChI=1S/C22H17F3N6O3S3/c1-31-11-27-30-21(31)37-16-8-7-15(35-13-4-2-12(3-5-13)22(23,24)25)18(28-16)19(34)29-20-26-10-14(36-20)6-9-17(32)33/h2-5,7-8,10-11H,6,9H2,1H3,(H,32,33)(H,26,29,34)
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n/an/an/an/a 173n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260376
PNG
(US9527838, 4)
Show SMILES COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(SC(C)(C)C(O)=O)s2)cc1
Show InChI InChI=1S/C23H22N6O4S4/c1-23(2,20(31)32)37-17-11-24-21(36-17)27-19(30)18-15(34-14-7-5-13(33-4)6-8-14)9-10-16(26-18)35-22-28-25-12-29(22)3/h5-12H,1-4H3,(H,31,32)(H,24,27,30)
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n/an/an/an/a 65.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260380
PNG
(US9527838, 8)
Show SMILES COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1
Show InChI InChI=1S/C22H20N6O4S3/c1-28-12-24-27-22(28)35-17-9-8-16(33-14-5-3-13(32-2)4-6-14)19(25-17)20(31)26-21-23-11-15(34-21)7-10-18(29)30/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,29,30)(H,23,26,31)
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n/an/an/an/a 58.7n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260381
PNG
(US9527838, 9)
Show SMILES COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ccc(CC(N)=O)cc2)cc1
Show InChI InChI=1S/C24H22N6O3S2/c1-30-14-26-29-24(30)35-21-12-11-19(34-18-9-7-17(33-2)8-10-18)22(28-21)23(32)27-16-5-3-15(4-6-16)13-20(25)31/h3-12,14H,13H2,1-2H3,(H2,25,31)(H,27,32)
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n/an/an/an/a 1.89E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260384
PNG
(US9527838, 12)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(OC)cc2)sc1Cl
Show InChI InChI=1S/C25H21ClN4O4S3/c1-3-34-21(31)14-17-23(26)37-25(28-17)30-24(32)22-18(35-16-9-7-15(33-2)8-10-16)11-12-20(29-22)36-19-6-4-5-13-27-19/h4-13H,3,14H2,1-2H3,(H,28,30,32)
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n/an/an/an/a 47.6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260389
PNG
(US9527838, 17)
Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2nc(CC(O)=O)cs2)cc1
Show InChI InChI=1S/C23H18N4O4S3/c1-31-15-5-7-16(8-6-15)33-17-9-10-19(34-18-4-2-3-11-24-18)26-21(17)22(30)27-23-25-14(13-32-23)12-20(28)29/h2-11,13H,12H2,1H3,(H,28,29)(H,25,27,30)
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n/an/an/an/a 106n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260392
PNG
(US9527838, 20)
Show SMILES CCOC(=O)C(C)(C)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C25H25FN6O3S4/c1-5-35-22(34)25(2,3)13-36-19-12-27-23(39-19)30-21(33)20-17(37-16-8-6-15(26)7-9-16)10-11-18(29-20)38-24-31-28-14-32(24)4/h6-12,14H,5,13H2,1-4H3,(H,27,30,33)
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n/an/an/an/a 16.9n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260394
PNG
(US9527838, 22)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1
Show InChI InChI=1S/C22H19FN6O3S3/c1-3-32-18(30)10-14-11-33-21(25-14)27-20(31)19-16(34-15-6-4-13(23)5-7-15)8-9-17(26-19)35-22-28-24-12-29(22)2/h4-9,11-12H,3,10H2,1-2H3,(H,25,27,31)
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n/an/an/an/a 49.3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260396
PNG
(US9527838, 24)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)sc1Cl
Show InChI InChI=1S/C22H18ClFN6O3S3/c1-3-33-17(31)10-14-19(23)36-21(26-14)28-20(32)18-15(34-13-6-4-12(24)5-7-13)8-9-16(27-18)35-22-29-25-11-30(22)2/h4-9,11H,3,10H2,1-2H3,(H,26,28,32)
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n/an/an/an/a 8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260404
PNG
(US9527838, 32)
Show SMILES OC(=O)Cc1nc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)sc1Cl
Show InChI InChI=1S/C22H14ClFN4O3S3/c23-20-14(11-18(29)30)26-22(34-20)28-21(31)19-15(32-13-6-4-12(24)5-7-13)8-9-17(27-19)33-16-3-1-2-10-25-16/h1-10H,11H2,(H,29,30)(H,26,28,31)
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n/an/an/an/a 16.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260409
PNG
(US9527838, 37)
Show SMILES CCOC(=O)C(C)(C)CSc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C27H25FN4O3S4/c1-4-35-25(34)27(2,3)16-36-22-15-30-26(39-22)32-24(33)23-19(37-18-10-8-17(28)9-11-18)12-13-21(31-23)38-20-7-5-6-14-29-20/h5-15H,4,16H2,1-3H3,(H,30,32,33)
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n/an/an/an/a 129n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260411
PNG
(US9527838, 39)
Show SMILES COC(=O)CCc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C24H19FN4O3S3/c1-32-21(30)12-9-17-14-27-24(34-17)29-23(31)22-18(33-16-7-5-15(25)6-8-16)10-11-20(28-22)35-19-4-2-3-13-26-19/h2-8,10-11,13-14H,9,12H2,1H3,(H,27,29,31)
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n/an/an/an/a 727n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260414
PNG
(US9527838, 42)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(cc2)C(F)(F)F)c(n1)C(=O)Nc1nc(CC(O)=O)c(Cl)s1
Show InChI InChI=1S/C21H14ClF3N6O3S3/c1-31-9-26-30-20(31)36-14-7-6-13(35-11-4-2-10(3-5-11)21(23,24)25)16(28-14)18(34)29-19-27-12(8-15(32)33)17(22)37-19/h2-7,9H,8H2,1H3,(H,32,33)(H,27,29,34)
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n/an/an/an/a 44n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260382
PNG
(US9527838, 10)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Nc3ccccn3)ccc2Sc2ccc(OC)cc2)s1
Show InChI InChI=1S/C25H23N5O4S3/c1-3-34-21(31)15-35-22-14-27-25(37-22)30-24(32)23-18(36-17-9-7-16(33-2)8-10-17)11-12-20(29-23)28-19-6-4-5-13-26-19/h4-14H,3,15H2,1-2H3,(H,26,28,29)(H,27,30,32)
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n/an/an/an/a 35.2n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260401
PNG
(US9527838, 29)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3ccc(F)cc3)ccc2Sc2ccc(F)cc2)sc1Cl
Show InChI InChI=1S/C25H18ClF2N3O3S3/c1-2-34-21(32)13-18-23(26)37-25(29-18)31-24(33)22-19(35-16-7-3-14(27)4-8-16)11-12-20(30-22)36-17-9-5-15(28)6-10-17/h3-12H,2,13H2,1H3,(H,29,31,33)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260403
PNG
(US9527838, 31)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)sc1Cl
Show InChI InChI=1S/C24H18ClFN4O3S3/c1-2-33-20(31)13-16-22(25)36-24(28-16)30-23(32)21-17(34-15-8-6-14(26)7-9-15)10-11-19(29-21)35-18-5-3-4-12-27-18/h3-12H,2,13H2,1H3,(H,28,30,32)
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n/an/an/an/a 127n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260405
PNG
(US9527838, 33)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)n1
Show InChI InChI=1S/C24H19FN4O3S3/c1-2-32-21(30)13-16-14-33-24(27-16)29-23(31)22-18(34-17-8-6-15(25)7-9-17)10-11-20(28-22)35-19-5-3-4-12-26-19/h3-12,14H,2,13H2,1H3,(H,27,29,31)
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n/an/an/an/a 4.66E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260408
PNG
(US9527838, 36)
Show SMILES OC(=O)CSc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C22H15FN4O3S4/c23-13-4-6-14(7-5-13)32-15-8-9-17(33-16-3-1-2-10-24-16)26-20(15)21(30)27-22-25-11-19(34-22)31-12-18(28)29/h1-11H,12H2,(H,28,29)(H,25,27,30)
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n/an/an/an/a 34n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260417
PNG
(US9527838, 45)
Show SMILES CCOP(=O)(Cc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)s1)OCC
Show InChI InChI=1S/C24H24F3N6O4PS3/c1-4-36-38(35,37-5-2)13-17-12-28-22(40-17)31-21(34)20-18(39-16-8-6-15(7-9-16)24(25,26)27)10-11-19(30-20)41-23-32-29-14-33(23)3/h6-12,14H,4-5,13H2,1-3H3,(H,28,31,34)
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n/an/an/an/a 350n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260386
PNG
(US9527838, 14)
Show SMILES COC(=O)CCc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(OC)cc2)s1
Show InChI InChI=1S/C25H22N4O4S3/c1-32-16-6-8-17(9-7-16)34-19-11-12-21(36-20-5-3-4-14-26-20)28-23(19)24(31)29-25-27-15-18(35-25)10-13-22(30)33-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,27,29,31)
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n/an/an/an/a 290n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260390
PNG
(US9527838, 18)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C22H19FN6O3S4/c1-3-32-17(30)11-33-18-10-24-21(36-18)27-20(31)19-15(34-14-6-4-13(23)5-7-14)8-9-16(26-19)35-22-28-25-12-29(22)2/h4-10,12H,3,11H2,1-2H3,(H,24,27,31)
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n/an/an/an/a 13.4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260393
PNG
(US9527838, 21)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(n1)C(=O)Nc1ncc(SCC(C)(C)C(O)=O)s1
Show InChI InChI=1S/C23H21FN6O3S4/c1-23(2,20(32)33)11-34-17-10-25-21(37-17)28-19(31)18-15(35-14-6-4-13(24)5-7-14)8-9-16(27-18)36-22-29-26-12-30(22)3/h4-10,12H,11H2,1-3H3,(H,32,33)(H,25,28,31)
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n/an/an/an/a 17.2n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260402
PNG
(US9527838, 30)
Show SMILES OC(=O)Cc1nc(NC(=O)c2nc(Sc3ccc(F)cc3)ccc2Sc2ccc(F)cc2)sc1Cl
Show InChI InChI=1S/C23H14ClF2N3O3S3/c24-21-16(11-19(30)31)27-23(35-21)29-22(32)20-17(33-14-5-1-12(25)2-6-14)9-10-18(28-20)34-15-7-3-13(26)4-8-15/h1-10H,11H2,(H,30,31)(H,27,29,32)
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n/an/an/an/a 16.3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260423
PNG
(US9527838, 51)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C22H18Cl2N6O3S4/c1-3-33-17(31)10-34-18-9-25-21(37-18)28-20(32)19-15(35-12-4-5-13(23)14(24)8-12)6-7-16(27-19)36-22-29-26-11-30(22)2/h4-9,11H,3,10H2,1-2H3,(H,25,28,32)
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n/an/an/an/a 6.20n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260375
PNG
(US9527838, 3)
Show SMILES CNC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC)cc2)s1
Show InChI InChI=1S/C22H21N7O3S4/c1-23-16(30)11-33-18-10-24-21(36-18)27-20(31)19-15(34-14-6-4-13(32-3)5-7-14)8-9-17(26-19)35-22-28-25-12-29(22)2/h4-10,12H,11H2,1-3H3,(H,23,30)(H,24,27,31)
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n/an/an/an/a 10.8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260377
PNG
(US9527838, 5)
Show SMILES CCOC(=O)C(C)(C)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC)cc2)s1
Show InChI InChI=1S/C26H28N6O4S4/c1-6-36-23(34)26(2,3)14-37-20-13-27-24(40-20)30-22(33)21-18(38-17-9-7-16(35-5)8-10-17)11-12-19(29-21)39-25-31-28-15-32(25)4/h7-13,15H,6,14H2,1-5H3,(H,27,30,33)
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n/an/an/an/a 14.3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260387
PNG
(US9527838, 15)
Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1
Show InChI InChI=1S/C24H20N4O4S3/c1-32-15-5-7-16(8-6-15)33-18-10-11-20(35-19-4-2-3-13-25-19)27-22(18)23(31)28-24-26-14-17(34-24)9-12-21(29)30/h2-8,10-11,13-14H,9,12H2,1H3,(H,29,30)(H,26,28,31)
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n/an/an/an/a 140n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260397
PNG
(US9527838, 25)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(n1)C(=O)Nc1nc(CC(O)=O)c(Cl)s1
Show InChI InChI=1S/C20H14ClFN6O3S3/c1-28-9-23-27-20(28)33-14-7-6-13(32-11-4-2-10(22)3-5-11)16(25-14)18(31)26-19-24-12(8-15(29)30)17(21)34-19/h2-7,9H,8H2,1H3,(H,29,30)(H,24,26,31)
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n/an/an/an/a 18.6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260406
PNG
(US9527838, 34)
Show SMILES OC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)n1
Show InChI InChI=1S/C22H15FN4O3S3/c23-13-4-6-15(7-5-13)32-16-8-9-18(33-17-3-1-2-10-24-17)26-20(16)21(30)27-22-25-14(12-31-22)11-19(28)29/h1-10,12H,11H2,(H,28,29)(H,25,27,30)
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n/an/an/an/a 413n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM260391
PNG
(US9527838, 19)
Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(n1)C(=O)Nc1ncc(SCC(O)=O)s1
Show InChI InChI=1S/C20H15FN6O3S4/c1-27-10-23-26-20(27)33-14-7-6-13(32-12-4-2-11(21)3-5-12)17(24-14)18(30)25-19-22-8-16(34-19)31-9-15(28)29/h2-8,10H,9H2,1H3,(H,28,29)(H,22,25,30)
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n/an/an/an/a 23.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%