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Patent code US9771375

Compile Data Set for Download or QSAR
Found 159 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
Ketohexokinase


(Homo sapiens (Human))
BDBM130556
PNG
(US8822447, 20 | US9771375, Example 20)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(CC1)N1CCNCC1
Show InChI InChI=1S/C23H29N5S/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)26-13-9-18(10-14-26)27-15-11-24-12-16-27/h2-8,17-18,24H,9-16H2,1H3
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n/an/a 670n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130575
PNG
(US8822447, 44 | US9771375, Example 44)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CNC1
Show InChI InChI=1S/C22H27N5/c1-2-21-20-9-8-18(25-10-12-26(13-11-25)19-15-23-16-19)14-22(20)27(24-21)17-6-4-3-5-7-17/h3-9,14,19,23H,2,10-13,15-16H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349752
PNG
(CHEMBL1809179 | US8822447, 56 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCNC(C)C1
Show InChI InChI=1S/C20H24N4/c1-3-19-18-10-9-17(23-12-11-21-15(2)14-23)13-20(18)24(22-19)16-7-5-4-6-8-16/h4-10,13,15,21H,3,11-12,14H2,1-2H3
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n/an/a 860n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130591
PNG
(US8822447, 69 | US9771375, Example 69)
Show SMILES CCN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H24N4/c1-3-22-11-13-23(14-12-22)18-9-10-19-16(2)21-24(20(19)15-18)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130597
PNG
(US8822447, 75 | US9771375, Example 75)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNC1
Show InChI InChI=1S/C22H27N5O/c1-28-22-20-8-7-18(15-21(20)27(24-22)17-5-3-2-4-6-17)25-11-13-26(14-12-25)19-9-10-23-16-19/h2-8,15,19,23H,9-14,16H2,1H3
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n/an/a 310n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342509
PNG
(3-Ethyl-1-phenyl-6-piperidin-4-yl-1H-pyrazolo[3,4-...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCNCC1
Show InChI InChI=1S/C18H21N5O/c1-2-14-15-17(23(22-14)13-6-4-3-5-7-13)20-16(21-18(15)24)12-8-10-19-11-9-12/h3-7,12,19H,2,8-11H2,1H3,(H,20,21,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130625
PNG
(US8822447, 108 | US9771375, Example 108)
Show SMILES CCN(CC1CCNCC1)c1ccc2c(SC)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H28N4S/c1-3-25(16-17-11-13-23-14-12-17)19-9-10-20-21(15-19)26(24-22(20)27-2)18-7-5-4-6-8-18/h4-10,15,17,23H,3,11-14,16H2,1-2H3
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n/an/a 890n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130646
PNG
(US8822447, 149 | US9771375, Example 149)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C1=CCN(CC1)C(=O)CCN
Show InChI InChI=1S/C22H24N4OS/c1-28-22-19-8-7-17(16-10-13-25(14-11-16)21(27)9-12-23)15-20(19)26(24-22)18-5-3-2-4-6-18/h2-8,10,15H,9,11-14,23H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130650
PNG
(US8822447, 155 | US9771375, Example 155)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=Cc3ccccn3)ccc12
Show InChI InChI=1S/C21H17N3S/c1-25-21-19-13-11-16(10-12-17-7-5-6-14-22-17)15-20(19)24(23-21)18-8-3-2-4-9-18/h2-15H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349726
PNG
(CHEMBL1809153 | US8822447, 164 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C19H15N3S/c1-23-19-17-8-7-15(14-9-11-20-12-10-14)13-18(17)22(21-19)16-5-3-2-4-6-16/h2-13H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130664
PNG
(US8822447, 176 | US9771375, Example 176)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCCNC3)ccc12
Show InChI InChI=1S/C21H23N3S/c1-25-21-19-12-11-16(9-10-17-6-5-13-22-15-17)14-20(19)24(23-21)18-7-3-2-4-8-18/h2-4,7-12,14,17,22H,5-6,13,15H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM8526
PNG
(CHEMBL1809170 | US8822447, 107 | US8822448, 184 | ...)
Show SMILES CSc1nn(-c2ccc(C)cc2)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C20H21N3S/c1-14-3-6-17(7-4-14)23-19-13-16(15-9-11-21-12-10-15)5-8-18(19)20(22-23)24-2/h3-9,13,21H,10-12H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349732
PNG
(CHEMBL1809159 | US8822447, 2 | US9771375, Example ...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CNC3)ccc12
Show InChI InChI=1S/C18H18N4OS/c1-24-18-15-8-7-13(20-17(23)12-10-19-11-12)9-16(15)22(21-18)14-5-3-2-4-6-14/h2-9,12,19H,10-11H2,1H3,(H,20,23)
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n/an/a 220n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130551
PNG
(US8822447, 15 | US9771375, Example 15)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CC(C1)N1CCNCC1
Show InChI InChI=1S/C21H25N5S/c1-27-21-19-8-7-17(25-14-18(15-25)24-11-9-22-10-12-24)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130566
PNG
(US8822447, 31 | US9771375, Example 31)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)c1cccnc1
Show InChI InChI=1S/C24H23N5OS/c1-31-23-21-10-9-20(16-22(21)29(26-23)19-7-3-2-4-8-19)27-12-14-28(15-13-27)24(30)18-6-5-11-25-17-18/h2-11,16-17H,12-15H2,1H3
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n/an/a 4.95E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349757
PNG
(CHEMBL1809184 | US8822447, 47 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C24H25N5/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)28-16-14-27(15-17-28)19-10-12-25-13-11-19/h3-13,18H,2,14-17H2,1H3
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n/an/a 3.51E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130592
PNG
(US8822447, 70 | US9771375, Example 70)
Show SMILES CC(C)N1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H26N4/c1-16(2)23-11-13-24(14-12-23)19-9-10-20-17(3)22-25(21(20)15-19)18-7-5-4-6-8-18/h4-10,15-16H,11-14H2,1-3H3
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n/an/a 1.47E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342502
PNG
(3-Methyl-1-phenyl-6-(3,4,5,6-tetrahydro-2H-[1,3...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C22H22N6O/c1-15-19-21(28(26-15)17-6-3-2-4-7-17)24-20(25-22(19)29)16-9-12-27(13-10-16)18-8-5-11-23-14-18/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,24,25,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342503
PNG
(6-(1-Azetidin-3-yl-piperidin-3-yl)-3-methyl-1-phen...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCCN(C1)C1CNC1
Show InChI InChI=1S/C20H24N6O/c1-13-17-19(26(24-13)15-7-3-2-4-8-15)22-18(23-20(17)27)14-6-5-9-25(12-14)16-10-21-11-16/h2-4,7-8,14,16,21H,5-6,9-12H2,1H3,(H,22,23,27)
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n/an/a 7.45E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342510
PNG
(3-Ethyl-1-phenyl-6-(3,4,5,6-tetrahydro-2H-[1,4R...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C23H24N6O/c1-2-19-20-22(29(27-19)18-6-4-3-5-7-18)25-21(26-23(20)30)16-10-14-28(15-11-16)17-8-12-24-13-9-17/h3-9,12-13,16H,2,10-11,14-15H2,1H3,(H,25,26,30)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130630
PNG
(US8822447, 115 | US9771375, Example 115)
Show SMILES CSc1nn(-c2ccc(N)cc2)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H23N5S/c1-25-19-17-7-2-14(13-23-10-8-21-9-11-23)12-18(17)24(22-19)16-5-3-15(20)4-6-16/h2-7,12,21H,8-11,13,20H2,1H3
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n/an/a>5.10E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130637
PNG
(US8822447, 130 | US9771375, Example 130)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N5O2S/c1-27-19-17-7-2-14(13-22-10-8-20-9-11-22)12-18(17)23(21-19)15-3-5-16(6-4-15)24(25)26/h2-7,12,20H,8-11,13H2,1H3
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n/an/a 4.49E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM8366
PNG
(CHEMBL1809169 | US8822448, 147 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2cccc(C)c2)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C20H21N3S/c1-14-4-3-5-17(12-14)23-19-13-16(15-8-10-21-11-9-15)6-7-18(19)20(22-23)24-2/h3-8,12-13,21H,9-11H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130653
PNG
(US8822447, 160 | US9771375, Example 160)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCNCC1
Show InChI InChI=1S/C21H23N3OS/c1-26-21-18-8-7-16(20(25)13-15-9-11-22-12-10-15)14-19(18)24(23-21)17-5-3-2-4-6-17/h2-8,14-15,22H,9-13H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130654
PNG
(US8822447, 161 | US9771375, Example 161)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCCNC1
Show InChI InChI=1S/C21H23N3OS/c1-26-21-18-10-9-16(20(25)12-15-6-5-11-22-14-15)13-19(18)24(23-21)17-7-3-2-4-8-17/h2-4,7-10,13,15,22H,5-6,11-12,14H2,1H3
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n/an/a 6.62E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130666
PNG
(US8822447, 180 | US9771375, Example 180)
Show SMILES CSc1nn(-c2ccccc2C)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C20H21N3S/c1-14-5-3-4-6-18(14)23-19-13-16(15-9-11-21-12-10-15)7-8-17(19)20(22-23)24-2/h3-9,13,21H,10-12H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349724
PNG
(CHEMBL1809151 | US8822447, 1 | US9771375, Example ...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4S/c1-23-18-16-8-7-15(21-11-9-19-10-12-21)13-17(16)22(20-18)14-5-3-2-4-6-14/h2-8,13,19H,9-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130546
PNG
(US8822447, 8 | US9771375, Example 8)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)c3ccncc3)ccc12
Show InChI InChI=1S/C20H16N4OS/c1-26-20-17-8-7-15(22-19(25)14-9-11-21-12-10-14)13-18(17)24(23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130548
PNG
(US8822447, 11 | US9771375, Example 11)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCCNCC1
Show InChI InChI=1S/C19H22N4S/c1-24-19-17-9-8-16(22-12-5-10-20-11-13-22)14-18(17)23(21-19)15-6-3-2-4-7-15/h2-4,6-9,14,20H,5,10-13H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130550
PNG
(US8822447, 14 | US9771375, Example 14)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12
Show InChI InChI=1S/C20H16N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130565
PNG
(US8822447, 30 | US9771375, Example 30)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)c1ccccn1
Show InChI InChI=1S/C24H23N5OS/c1-31-23-20-11-10-19(17-22(20)29(26-23)18-7-3-2-4-8-18)27-13-15-28(16-14-27)24(30)21-9-5-6-12-25-21/h2-12,17H,13-16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349736
PNG
(CHEMBL1809163 | US8822447, 34 | US9771375, Example...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C24H29N5OS/c1-31-23-21-8-7-20(17-22(21)29(26-23)19-5-3-2-4-6-19)27-13-15-28(16-14-27)24(30)18-9-11-25-12-10-18/h2-8,17-18,25H,9-16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342457
PNG
(N-(3-Ethyl-1-phenyl-1H-indazol-6-yl)-1H-benzo[d]im...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc12
Show InChI InChI=1S/C23H19N5O/c1-2-19-18-10-9-16(13-22(18)28(27-19)17-6-4-3-5-7-17)26-23(29)15-8-11-20-21(12-15)25-14-24-20/h3-14H,2H2,1H3,(H,24,25)(H,26,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349750
PNG
(CHEMBL1809177 | US8822447, 42 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C19H22N4/c1-2-18-17-9-8-16(22-12-10-20-11-13-22)14-19(17)23(21-18)15-6-4-3-5-7-15/h3-9,14,20H,2,10-13H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349756
PNG
(CHEMBL1809183 | US8822447, 45 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNC1
Show InChI InChI=1S/C23H29N5/c1-2-22-21-9-8-19(16-23(21)28(25-22)18-6-4-3-5-7-18)26-12-14-27(15-13-26)20-10-11-24-17-20/h3-9,16,20,24H,2,10-15,17H2,1H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349753
PNG
(CHEMBL1809180 | US8822447, 54 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C)CC1
Show InChI InChI=1S/C20H24N4/c1-3-19-18-10-9-17(23-13-11-22(2)12-14-23)15-20(18)24(21-19)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3
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n/an/a 4.52E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349754
PNG
(CHEMBL1809181 | US8822447, 55 | US9771375, Example...)
Show SMILES CCN1CCN(CC1)c1ccc2c(CC)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H26N4/c1-3-20-19-11-10-18(24-14-12-23(4-2)13-15-24)16-21(19)25(22-20)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349748
PNG
(CHEMBL1809175 | US9771375, Example 57)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(CC1)N1CCNCC1
Show InChI InChI=1S/C23H29N5/c1-18-22-8-7-21(17-23(22)28(25-18)20-5-3-2-4-6-20)26-13-9-19(10-14-26)27-15-11-24-12-16-27/h2-8,17,19,24H,9-16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130581
PNG
(US8822447, 58 | US9771375, Example 58)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H24N4/c1-18-23-12-9-20(17-24(23)28(26-18)22-5-3-2-4-6-22)19-7-10-21(11-8-19)27-15-13-25-14-16-27/h2-12,17,25H,13-16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349747
PNG
(CHEMBL1809174 | US8822447, 59 | US9771375, Example...)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-14-17-8-7-16(21-11-9-19-10-12-21)13-18(17)22(20-14)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130582
PNG
(US8822447, 60 | US9771375, Example 60)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CC(C1)N1CCNCC1
Show InChI InChI=1S/C21H25N5/c1-16-20-8-7-18(25-14-19(15-25)24-11-9-22-10-12-24)13-21(20)26(23-16)17-5-3-2-4-6-17/h2-8,13,19,22H,9-12,14-15H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130589
PNG
(US8822447, 67 | US9771375, Example 67)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C22H25N5O/c1-16-20-8-7-19(15-21(20)27(24-16)18-5-3-2-4-6-18)26-14-13-25(22(26)28)17-9-11-23-12-10-17/h2-8,15,17,23H,9-14H2,1H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342491
PNG
(3-Methoxy-1-phenyl-6-(3-(piperazin-1-yl)azetidin-1...)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CN(C1)C1CCNCC1
Show InChI InChI=1S/C21H25N5O/c1-27-21-19-8-7-18(25-14-24(15-25)16-9-11-22-12-10-16)13-20(19)26(23-21)17-5-3-2-4-6-17/h2-8,13,16,22H,9-12,14-15H2,1H3
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n/an/a 390n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130600
PNG
(US8822447, 79 | US9771375, Example 79)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)-c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C23H18N4O/c1-28-23-21-12-9-18(15-22(21)27(25-23)20-5-3-2-4-6-20)17-7-10-19(11-8-17)26-14-13-24-16-26/h2-16H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342498
PNG
(N-(3-methoxy-1-phenyl-1H-indazol-6-yl)-1H-benzo[d]...)
Show SMILES COc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc12
Show InChI InChI=1S/C22H17N5O2/c1-29-22-17-9-8-15(12-20(17)27(26-22)16-5-3-2-4-6-16)25-21(28)14-7-10-18-19(11-14)24-13-23-18/h2-13H,1H3,(H,23,24)(H,25,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130602
PNG
(US8822447, 81 | US9771375, Example 81)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C22H25N5O2/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342508
PNG
(6-(1-Azetidin-3-yl-piperidin-4-ylmethyl)-3-methyl-...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CC3CCN(CC3)C3CNC3)nc(O)c12
Show InChI InChI=1S/C21H26N6O/c1-14-19-20(27(25-14)16-5-3-2-4-6-16)23-18(24-21(19)28)11-15-7-9-26(10-8-15)17-12-22-13-17/h2-6,15,17,22H,7-13H2,1H3,(H,23,24,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130618
PNG
(US8822447, 98 | US9771375, Example 98)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(OC)c12)-c1ccc(cc1)N1CC(C)NC(C)C1
Show InChI InChI=1S/C27H31N5O/c1-5-23-26-25(33-4)15-24(29-27(26)32(30-23)22-9-7-6-8-10-22)20-11-13-21(14-12-20)31-16-18(2)28-19(3)17-31/h6-15,18-19,28H,5,16-17H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130620
PNG
(US8822447, 100 | US9771375, Example 100)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(O)c12)-c1ccc(NC2CCNCC2)cc1
Show InChI InChI=1S/C25H27N5O/c1-2-21-24-23(31)16-22(28-25(24)30(29-21)20-6-4-3-5-7-20)17-8-10-18(11-9-17)27-19-12-14-26-15-13-19/h3-11,16,19,26-27H,2,12-15H2,1H3,(H,28,31)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM8526
PNG
(CHEMBL1809170 | US8822447, 107 | US8822448, 184 | ...)
Show SMILES CSc1nn(-c2ccc(C)cc2)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C20H21N3S/c1-14-3-6-17(7-4-14)23-19-13-16(15-9-11-21-12-10-15)5-8-18(19)20(22-23)24-2/h3-9,13,21H,10-12H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130626
PNG
(US8822447, 109 | US9771375, Example 109)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC3CCNCC3)ccc12
Show InChI InChI=1S/C19H22N4S/c1-24-19-17-8-7-15(21-14-9-11-20-12-10-14)13-18(17)23(22-19)16-5-3-2-4-6-16/h2-8,13-14,20-21H,9-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130631
PNG
(US8822447, 118 | US9771375, Example 118)
Show SMILES CSc1nn(-c2cccc(C)c2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C19H22N4S/c1-14-4-3-5-16(12-14)23-18-13-15(22-10-8-20-9-11-22)6-7-17(18)19(21-23)24-2/h3-7,12-13,20H,8-11H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349728
PNG
(CHEMBL1809155 | US8822447, 121 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(OC3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3OS/c1-24-19-17-8-7-16(23-15-9-11-20-12-10-15)13-18(17)22(21-19)14-5-3-2-4-6-14/h2-8,13,15,20H,9-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130642
PNG
(US8822447, 137 | US9771375, Example 137)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(O)c1ccncc1
Show InChI InChI=1S/C20H17N3OS/c1-25-20-17-8-7-15(19(24)14-9-11-21-12-10-14)13-18(17)23(22-20)16-5-3-2-4-6-16/h2-13,19,24H,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349741
PNG
(CHEMBL1809168 | US8822447, 139 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccc(F)cc2)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C19H18FN3S/c1-24-19-17-7-2-14(13-8-10-21-11-9-13)12-18(17)23(22-19)16-5-3-15(20)4-6-16/h2-8,12,21H,9-11H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130652
PNG
(US8822447, 158 | US9771375, Example 158)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(C)CCNCC3)ccc12
Show InChI InChI=1S/C21H24N4OS/c1-21(10-12-22-13-11-21)20(26)23-15-8-9-17-18(14-15)25(24-19(17)27-2)16-6-4-3-5-7-16/h3-9,14,22H,10-13H2,1-2H3,(H,23,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130661
PNG
(US8822447, 172 | US9771375, Example 172)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(CCNCC3)c3ccccc3)ccc12
Show InChI InChI=1S/C26H26N4OS/c1-32-24-22-13-12-20(18-23(22)30(29-24)21-10-6-3-7-11-21)28-25(31)26(14-16-27-17-15-26)19-8-4-2-5-9-19/h2-13,18,27H,14-17H2,1H3,(H,28,31)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130543
PNG
(US8822447, 3 | US9771375, Example 3)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)CC3CCCCN3)ccc12
Show InChI InChI=1S/C21H24N4OS/c1-27-21-18-11-10-16(23-20(26)14-15-7-5-6-12-22-15)13-19(18)25(24-21)17-8-3-2-4-9-17/h2-4,8-11,13,15,22H,5-7,12,14H2,1H3,(H,23,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130547
PNG
(US8822447, 9 | US9771375, Example 9)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H18N4OS/c1-27-21-18-8-7-16(23-20(26)13-15-9-11-22-12-10-15)14-19(18)25(24-21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,23,26)
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n/an/a 2.68E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349727
PNG
(CHEMBL1809154 | US8822447, 10 | US9771375, Example...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CC2CC1CN2
Show InChI InChI=1S/C19H20N4S/c1-24-19-17-8-7-15(22-12-13-9-16(22)11-20-13)10-18(17)23(21-19)14-5-3-2-4-6-14/h2-8,10,13,16,20H,9,11-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349730
PNG
(CHEMBL1809157 | US8822447, 12 | US9771375, Example...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12
Show InChI InChI=1S/C20H22N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130554
PNG
(US8822447, 18 | US9771375, Example 18)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C24H25N5S/c1-30-24-22-8-7-21(17-23(22)29(26-24)20-5-3-2-4-6-20)28-15-13-27(14-16-28)18-19-9-11-25-12-10-19/h2-12,17H,13-16,18H2,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130560
PNG
(US8822447, 25 | US9771375, Example 25)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNC2)C1=O
Show InChI InChI=1S/C21H23N5OS/c1-28-20-18-8-7-16(13-19(18)26(23-20)15-5-3-2-4-6-15)24-11-12-25(21(24)27)17-9-10-22-14-17/h2-8,13,17,22H,9-12,14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130564
PNG
(US8822447, 29 | US9771375, Example 29)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C23H23N5S/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)27-15-13-26(14-16-27)18-9-11-24-12-10-18/h2-12,17H,13-16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349751
PNG
(CHEMBL1809178 | US8822447, 46 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C24H31N5/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)28-16-14-27(15-17-28)19-10-12-25-13-11-19/h3-9,18-19,25H,2,10-17H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349758
PNG
(CHEMBL1809185 | US8822447, 52 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H26N4/c1-2-24-23-13-10-20(18-25(23)29(27-24)22-6-4-3-5-7-22)19-8-11-21(12-9-19)28-16-14-26-15-17-28/h3-13,18,26H,2,14-17H2,1H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130583
PNG
(US8822447, 61 | US9771375, Example 61)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(C1)N1CCNCC1
Show InChI InChI=1S/C22H27N5/c1-17-21-8-7-19(15-22(21)27(24-17)18-5-3-2-4-6-18)26-12-9-20(16-26)25-13-10-23-11-14-25/h2-8,15,20,23H,9-14,16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130593
PNG
(US8822447, 71 | US9771375, Example 71)
Show SMILES CC1CN(CCN1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130604
PNG
(US8822447, 83 | US9771375, Example 83)
Show SMILES CCc1nn(-c2ccccc2)c2nc(ncc12)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C22H23N7/c1-2-20-19-16-24-22(25-21(19)29(26-20)17-7-4-3-5-8-17)28-13-11-27(12-14-28)18-9-6-10-23-15-18/h3-10,15-16H,2,11-14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342507
PNG
(6-[1,4′]Bipiperidinyl-4-yl-3-methyl-1-phenyl...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C22H28N6O/c1-15-19-21(28(26-15)18-5-3-2-4-6-18)24-20(25-22(19)29)16-9-13-27(14-10-16)17-7-11-23-12-8-17/h2-6,16-17,23H,7-14H2,1H3,(H,24,25,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130632
PNG
(US8822447, 119 | US9771375, Example 119)
Show SMILES CSc1nn(-c2cccc(C)c2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C24H31N5S/c1-18-4-3-5-21(16-18)29-23-17-20(6-7-22(23)24(26-29)30-2)28-14-12-27(13-15-28)19-8-10-25-11-9-19/h3-7,16-17,19,25H,8-15H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130633
PNG
(US8822447, 122 | US9771375, Example 122)
Show SMILES COc1ccc(cc1)-n1nc(SC)c2ccc(cc12)N1CCNCC1
Show InChI InChI=1S/C19H22N4OS/c1-24-16-6-3-14(4-7-16)23-18-13-15(22-11-9-20-10-12-22)5-8-17(18)19(21-23)25-2/h3-8,13,20H,9-12H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130639
PNG
(US8822447, 133 | US9771375, Example 133)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C(=O)N1CCNCC1
Show InChI InChI=1S/C19H19N5O3S/c1-28-18-16-7-2-13(19(25)22-10-8-20-9-11-22)12-17(16)23(21-18)14-3-5-15(6-4-14)24(26)27/h2-7,12,20H,8-11H2,1H3
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n/an/a>5.10E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130643
PNG
(US8822447, 141 | US8822447, 153 | US9771375, Examp...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCNCC3)ccc12
Show InChI InChI=1S/C21H23N3S/c1-25-21-19-10-9-17(8-7-16-11-13-22-14-12-16)15-20(19)24(23-21)18-5-3-2-4-6-18/h2-10,15-16,22H,11-14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130656
PNG
(US8822447, 165 | US9771375, Example 165)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NCCN3CCNCC3)ccc12
Show InChI InChI=1S/C20H25N5S/c1-26-20-18-8-7-16(22-11-14-24-12-9-21-10-13-24)15-19(18)25(23-20)17-5-3-2-4-6-17/h2-8,15,21-22H,9-14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130662
PNG
(US8822447, 173 | US9771375, Example 173)
Show SMILES COc1ccc(cc1)-n1nc(SC)c2ccc(cc12)C(=O)c1ccc2ncn(C)c2c1
Show InChI InChI=1S/C24H20N4O2S/c1-27-14-25-20-11-5-16(13-22(20)27)23(29)15-4-10-19-21(12-15)28(26-24(19)31-3)17-6-8-18(30-2)9-7-17/h4-14H,1-3H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130665
PNG
(US8822447, 178 | US9771375, Example 178)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=Cc3ccc(C)nc3)ccc12
Show InChI InChI=1S/C22H19N3S/c1-16-8-9-18(15-23-16)11-10-17-12-13-20-21(14-17)25(24-22(20)26-2)19-6-4-3-5-7-19/h3-15H,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130544
PNG
(US8822447, 4 | US9771375, Example 4)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)NC3CCNC3)ccc12
Show InChI InChI=1S/C19H21N5OS/c1-26-18-16-8-7-13(21-19(25)22-14-9-10-20-12-14)11-17(16)24(23-18)15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12H2,1H3,(H2,21,22,25)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349731
PNG
(CHEMBL1809158 | US8822447, 5 | US9771375, Example ...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNC3)ccc12
Show InChI InChI=1S/C19H20N4OS/c1-25-19-16-8-7-14(21-18(24)13-9-10-20-12-13)11-17(16)23(22-19)15-5-3-2-4-6-15/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,24)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130545
PNG
(US8822447, 7 | US9771375, Example 7)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)NC3CCNCC3)ccc12
Show InChI InChI=1S/C20H23N5OS/c1-27-19-17-8-7-15(23-20(26)22-14-9-11-21-12-10-14)13-18(17)25(24-19)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3,(H2,22,23,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130562
PNG
(US8822447, 27 | US9771375, Example 27)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC2CCNC2)C1=O
Show InChI InChI=1S/C22H25N5OS/c1-29-21-19-8-7-18(13-20(19)27(24-21)17-5-3-2-4-6-17)26-12-11-25(22(26)28)15-16-9-10-23-14-16/h2-8,13,16,23H,9-12,14-15H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130577
PNG
(US8822447, 49 | US9771375, Example 49)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C23H27N5O/c1-2-21-20-9-8-19(16-22(20)28(25-21)18-6-4-3-5-7-18)27-15-14-26(23(27)29)17-10-12-24-13-11-17/h3-9,16-17,24H,2,10-15H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130590
PNG
(US8822447, 68 | US9771375, Example 68)
Show SMILES CN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H22N4/c1-15-18-9-8-17(22-12-10-21(2)11-13-22)14-19(18)23(20-15)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
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n/an/a 1.57E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342504
PNG
(3-Methyl-1-phenyl-6-piperidin-4-yl-1H-pyrazolo[3,4...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCNCC1
Show InChI InChI=1S/C17H19N5O/c1-11-14-16(22(21-11)13-5-3-2-4-6-13)19-15(20-17(14)23)12-7-9-18-10-8-12/h2-6,12,18H,7-10H2,1H3,(H,19,20,23)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342511
PNG
(3-Ethyl-1-phenyl-6-(3,4,5,6-tetrahydro-2H-[1,3R...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C23H24N6O/c1-2-19-20-22(29(27-19)17-7-4-3-5-8-17)25-21(26-23(20)30)16-10-13-28(14-11-16)18-9-6-12-24-15-18/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H,25,26,30)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130621
PNG
(US8822447, 101 | US9771375, Example 101)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(O)c12)-c1ccc(NC2CCNCC2)cc1
Show InChI InChI=1S/C24H25N5O/c1-16-23-22(30)15-21(27-24(23)29(28-16)20-5-3-2-4-6-20)17-7-9-18(10-8-17)26-19-11-13-25-14-12-19/h2-10,15,19,25-26H,11-14H2,1H3,(H,27,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130624
PNG
(US8822447, 104 | US9771375, Example 104)
Show SMILES CCOc1cc(nc2n(nc(CC)c12)-c1ccccc1)-c1ccc(cc1)N1CC(C)NC(C)C1
Show InChI InChI=1S/C28H33N5O/c1-5-24-27-26(34-6-2)16-25(30-28(27)33(31-24)23-10-8-7-9-11-23)21-12-14-22(15-13-21)32-17-19(3)29-20(4)18-32/h7-16,19-20,29H,5-6,17-18H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349746
PNG
(CHEMBL1809173 | US8822447, 116 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccc(N)cc2)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C19H20N4S/c1-24-19-17-7-2-14(13-8-10-21-11-9-13)12-18(17)23(22-19)16-5-3-15(20)4-6-16/h2-8,12,21H,9-11,20H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130634
PNG
(US8822447, 126 | US9771375, Example 126)
Show SMILES CSc1nn(-c2cc(F)cc(F)c2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C23H27F2N5S/c1-31-23-21-3-2-19(29-10-8-28(9-11-29)18-4-6-26-7-5-18)15-22(21)30(27-23)20-13-16(24)12-17(25)14-20/h2-3,12-15,18,26H,4-11H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130635
PNG
(US8822447, 127 | US9771375, Example 127)
Show SMILES CSc1nn(-c2ccc(Br)cc2)c2cc(OC3CCNCC3)ccc12
Show InChI InChI=1S/C19H20BrN3OS/c1-25-19-17-7-6-16(24-15-8-10-21-11-9-15)12-18(17)23(22-19)14-4-2-13(20)3-5-14/h2-7,12,15,21H,8-11H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130640
PNG
(US8822447, 135 | US9771375, Example 135)
Show SMILES CSc1nn(-c2ccc(F)cc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C23H28FN5S/c1-30-23-21-7-6-20(16-22(21)29(26-23)19-4-2-17(24)3-5-19)28-14-12-27(13-15-28)18-8-10-25-11-9-18/h2-7,16,18,25H,8-15H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130647
PNG
(US8822447, 152 | US9771375, Example 152)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=Cn3cncn3)ccc12
Show InChI InChI=1S/C18H15N5S/c1-24-18-16-8-7-14(9-10-22-13-19-12-20-22)11-17(16)23(21-18)15-5-3-2-4-6-15/h2-13H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130651
PNG
(US8822447, 157 | US9771375, Example 157)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(N)CCNCC3)ccc12
Show InChI InChI=1S/C20H23N5OS/c1-27-18-16-8-7-14(23-19(26)20(21)9-11-22-12-10-20)13-17(16)25(24-18)15-5-3-2-4-6-15/h2-8,13,22H,9-12,21H2,1H3,(H,23,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130657
PNG
(US8822447, 166 | US9771375, Example 166)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NCCC3CCNCC3)ccc12
Show InChI InChI=1S/C21H26N4S/c1-26-21-19-8-7-17(23-14-11-16-9-12-22-13-10-16)15-20(19)25(24-21)18-5-3-2-4-6-18/h2-8,15-16,22-23H,9-14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342571
PNG
(Benzo[1,2,5]oxadiazol-5-yl-(3-methylsulfanyl-1-phe...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)c1ccc2nonc2c1
Show InChI InChI=1S/C21H14N4O2S/c1-28-21-16-9-7-14(12-19(16)25(22-21)15-5-3-2-4-6-15)20(26)13-8-10-17-18(11-13)24-27-23-17/h2-12H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130663
PNG
(US8822447, 175 | US9771375, Example 175)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCCN3)ccc12
Show InChI InChI=1S/C20H21N3S/c1-24-20-18-12-10-15(9-11-16-6-5-13-21-16)14-19(18)23(22-20)17-7-3-2-4-8-17/h2-4,7-12,14,16,21H,5-6,13H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130549
PNG
(US8822447, 13 | US9771375, Example 13)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCN3)ccc12
Show InChI InChI=1S/C19H20N4OS/c1-25-19-15-10-9-13(21-18(24)16-8-5-11-20-16)12-17(15)23(22-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16,20H,5,8,11H2,1H3,(H,21,24)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130552
PNG
(US8822447, 16 | US9771375, Example 16)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)C1CCCNC1
Show InChI InChI=1S/C24H29N5OS/c1-31-23-21-10-9-20(16-22(21)29(26-23)19-7-3-2-4-8-19)27-12-14-28(15-13-27)24(30)18-6-5-11-25-17-18/h2-4,7-10,16,18,25H,5-6,11-15,17H2,1H3
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n/an/a 2.89E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130555
PNG
(US8822447, 19 | US9771375, Example 19)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(C1)N1CCNCC1
Show InChI InChI=1S/C22H27N5S/c1-28-22-20-8-7-18(15-21(20)27(24-22)17-5-3-2-4-6-17)26-12-9-19(16-26)25-13-10-23-11-14-25/h2-8,15,19,23H,9-14,16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130558
PNG
(US8822447, 22 | US9771375, Example 22)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNC1
Show InChI InChI=1S/C22H27N5S/c1-28-22-20-8-7-18(15-21(20)27(24-22)17-5-3-2-4-6-17)25-11-13-26(14-12-25)19-9-10-23-16-19/h2-8,15,19,23H,9-14,16H2,1H3
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n/an/a 4.45E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130569
PNG
(US8822447, 35 | US9771375, Example 35)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)C1CCCCN1
Show InChI InChI=1S/C24H29N5OS/c1-31-23-20-11-10-19(17-22(20)29(26-23)18-7-3-2-4-8-18)27-13-15-28(16-14-27)24(30)21-9-5-6-12-25-21/h2-4,7-8,10-11,17,21,25H,5-6,9,12-16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349759
PNG
(CHEMBL1809186 | US8822447, 40 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(NC(=O)c3cccc(c3)C(N)=N)ccc12
Show InChI InChI=1S/C23H21N5O/c1-2-20-19-12-11-17(14-21(19)28(27-20)18-9-4-3-5-10-18)26-23(29)16-8-6-7-15(13-16)22(24)25/h3-14H,2H2,1H3,(H3,24,25)(H,26,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130576
PNG
(US8822447, 48 | US9771375, Example 48)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNC2)C1=O
Show InChI InChI=1S/C22H25N5O/c1-2-20-19-9-8-17(14-21(19)27(24-20)16-6-4-3-5-7-16)25-12-13-26(22(25)28)18-10-11-23-15-18/h3-9,14,18,23H,2,10-13,15H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130578
PNG
(US8822447, 51 | US9771375, Example 51)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCC2(CCNC2)C1
Show InChI InChI=1S/C22H26N4/c1-2-20-19-9-8-18(25-13-11-22(16-25)10-12-23-15-22)14-21(19)26(24-20)17-6-4-3-5-7-17/h3-9,14,23H,2,10-13,15-16H2,1H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130584
PNG
(US8822447, 62 | US9771375, Example 62)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CNC1
Show InChI InChI=1S/C21H25N5/c1-16-20-8-7-18(24-9-11-25(12-10-24)19-14-22-15-19)13-21(20)26(23-16)17-5-3-2-4-6-17/h2-8,13,19,22H,9-12,14-15H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130587
PNG
(US8822447, 65 | US9771375, Example 65)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C23H23N5/c1-18-22-8-7-21(17-23(22)28(25-18)20-5-3-2-4-6-20)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h2-12,17H,13-16H2,1H3
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n/an/a 7.73E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342484
PNG
(N-(3-methyl-1-phenyl-1H-indazol-6-yl)-1H-benzo[d]i...)
Show SMILES Cc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc12
Show InChI InChI=1S/C22H17N5O/c1-14-18-9-8-16(12-21(18)27(26-14)17-5-3-2-4-6-17)25-22(28)15-7-10-19-20(11-15)24-13-23-19/h2-13H,1H3,(H,23,24)(H,25,28)
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n/an/a 160n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349749
PNG
(CHEMBL1809176 | US8822447, 76 | US9771375, Example...)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C23H29N5O/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)27-15-13-26(14-16-27)18-9-11-24-12-10-18/h2-8,17-18,24H,9-16H2,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130598
PNG
(US8822447, 77 | US9771375, Example 77)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C23H23N5O/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)27-15-13-26(14-16-27)18-9-11-24-12-10-18/h2-12,17H,13-16H2,1H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342513
PNG
(6-[1,4′]Bipiperidinyl-4-yl-3-ethyl-1-phenyl-...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C23H30N6O/c1-2-19-20-22(29(27-19)18-6-4-3-5-7-18)25-21(26-23(20)30)16-10-14-28(15-11-16)17-8-12-24-13-9-17/h3-7,16-17,24H,2,8-15H2,1H3,(H,25,26,30)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130622
PNG
(US8822447, 102 | US9771375, Example 102)
Show SMILES CCOc1cc(nc2n(nc(CC)c12)-c1ccccc1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H29N5O/c1-3-22-25-24(32-4-2)18-23(28-26(25)31(29-22)21-8-6-5-7-9-21)19-10-12-20(13-11-19)30-16-14-27-15-17-30/h5-13,18,27H,3-4,14-17H2,1-2H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130623
PNG
(US8822447, 103 | US9771375, Example 103)
Show SMILES CCOc1cc(nc2n(nc(CC)c12)-c1ccccc1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O/c1-4-23-26-25(33-5-2)19-24(28-27(26)32(29-23)22-9-7-6-8-10-22)20-11-13-21(14-12-20)31-17-15-30(3)16-18-31/h6-14,19H,4-5,15-18H2,1-3H3
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n/an/a 660n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130627
PNG
(US8822447, 110 | US9771375, Example 110)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C(=O)NC1CCNCC1
Show InChI InChI=1S/C20H21N5O3S/c1-29-20-17-7-2-13(19(26)22-14-8-10-21-11-9-14)12-18(17)24(23-20)15-3-5-16(6-4-15)25(27)28/h2-7,12,14,21H,8-11H2,1H3,(H,22,26)
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n/an/a 9.83E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130636
PNG
(US8822447, 128 | US9771375, Example 128)
Show SMILES CSc1nn(-c2ccc(Br)cc2)c2cc(OCC3CCNCC3)ccc12
Show InChI InChI=1S/C20H22BrN3OS/c1-26-20-18-7-6-17(25-13-14-8-10-22-11-9-14)12-19(18)24(23-20)16-4-2-15(21)3-5-16/h2-7,12,14,22H,8-11,13H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130658
PNG
(US8822447, 167 | US9771375, Example 167)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(F)CCNCC3)ccc12
Show InChI InChI=1S/C20H21FN4OS/c1-27-18-16-8-7-14(23-19(26)20(21)9-11-22-12-10-20)13-17(16)25(24-18)15-5-3-2-4-6-15/h2-8,13,22H,9-12H2,1H3,(H,23,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50330259
PNG
(CHEMBL1236391 | N-(3-(methylthio)-1-phenyl-1H-inda...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12
Show InChI InChI=1S/C20H22N4OS/c1-26-20-17-8-7-15(22-19(25)14-9-11-21-12-10-14)13-18(17)24(23-20)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3,(H,22,25)
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n/an/a 590n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))
BDBM130553
PNG
(US8822447, 17 | US9771375, Example 17)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H23N5OS/c1-31-23-21-8-7-20(17-22(21)29(26-23)19-5-3-2-4-6-19)27-13-15-28(16-14-27)24(30)18-9-11-25-12-10-18/h2-12,17H,13-16H2,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349735
PNG
(CHEMBL1809162 | US8822447, 23 | US9771375, Example...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C23H29N5S/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)27-15-13-26(14-16-27)18-9-11-24-12-10-18/h2-8,17-18,24H,9-16H2,1H3
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n/an/a 680n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130559
PNG
(US8822447, 24 | US9771375, Example 24)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H23N5S/c1-29-23-20-11-10-19(17-21(20)28(25-23)18-7-3-2-4-8-18)26-13-15-27(16-14-26)22-9-5-6-12-24-22/h2-12,17H,13-16H2,1H3
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n/an/a 1.56E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130561
PNG
(US8822447, 26 | US9771375, Example 26)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C22H25N5OS/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130567
PNG
(US8822447, 32 | US9771375, Example 32)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C24H25N5S/c1-30-24-22-10-9-21(16-23(22)29(26-24)20-7-3-2-4-8-20)28-14-12-27(13-15-28)18-19-6-5-11-25-17-19/h2-11,16-17H,12-15,18H2,1H3
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n/an/a 6.06E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130568
PNG
(US8822447, 33 | US9771375, Example 33)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)C1CCCN1
Show InChI InChI=1S/C23H27N5OS/c1-30-22-19-10-9-18(16-21(19)28(25-22)17-6-3-2-4-7-17)26-12-14-27(15-13-26)23(29)20-8-5-11-24-20/h2-4,6-7,9-10,16,20,24H,5,8,11-15H2,1H3
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n/an/a 5.34E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130570
PNG
(US8822447, 36 | US9771375, Example 36)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(CC1)N1CCNCC1
Show InChI InChI=1S/C24H31N5/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)27-14-10-19(11-15-27)28-16-12-25-13-17-28/h3-9,18-19,25H,2,10-17H2,1H3
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n/an/a 890n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130571
PNG
(US8822447, 37 | US9771375, Example 37)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)-c1ccc(OC2CCNCC2)cc1
Show InChI InChI=1S/C26H27N3O/c1-2-25-24-13-10-20(18-26(24)29(28-25)21-6-4-3-5-7-21)19-8-11-22(12-9-19)30-23-14-16-27-17-15-23/h3-13,18,23,27H,2,14-17H2,1H3
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n/an/a 5.87E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130573
PNG
(US8822447, 41 | US9771375, Example 41)
Show SMILES CCc1nn(-c2ccccc2)c2cc(OC3CN(C3)C3CCNCC3)ccc12
Show InChI InChI=1S/C23H28N4O/c1-2-22-21-9-8-19(14-23(21)27(25-22)18-6-4-3-5-7-18)28-20-15-26(16-20)17-10-12-24-13-11-17/h3-9,14,17,20,24H,2,10-13,15-16H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130574
PNG
(US8822447, 43 | US9771375, Example 43)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(C1)N1CCNCC1
Show InChI InChI=1S/C23H29N5/c1-2-22-21-9-8-19(16-23(21)28(25-22)18-6-4-3-5-7-18)27-13-10-20(17-27)26-14-11-24-12-15-26/h3-9,16,20,24H,2,10-15,17H2,1H3
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n/an/a 2.35E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130579
PNG
(US8822447, 53 | US9771375, Example 53)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)-c1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C25H25N3/c1-2-24-23-13-12-20(16-25(23)28(27-24)22-6-4-3-5-7-22)18-8-10-19(11-9-18)21-14-15-26-17-21/h3-13,16,21,26H,2,14-15,17H2,1H3
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n/an/a 4.81E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130586
PNG
(US8822447, 64 | US9771375, Example 64)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C23H29N5/c1-18-22-8-7-21(17-23(22)28(25-18)20-5-3-2-4-6-20)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h2-8,17,19,24H,9-16H2,1H3
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n/an/a 9.06E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130594
PNG
(US8822447, 72 | US9771375, Example 72)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(N)C1
Show InChI InChI=1S/C18H20N4/c1-13-17-8-7-16(21-10-9-14(19)12-21)11-18(17)22(20-13)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12,19H2,1H3
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n/an/a 680n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130596
PNG
(US8822447, 74 | US9771375, Example 74)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CNC1
Show InChI InChI=1S/C21H25N5O/c1-27-21-19-8-7-17(24-9-11-25(12-10-24)18-14-22-15-18)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3
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n/an/a 5.96E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342505
PNG
(US9771375, Example 87 | [4-(4-Hydroxy-3-methyl-1-p...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C23H28N6O2/c1-15-19-21(29(27-15)18-5-3-2-4-6-18)25-20(26-22(19)30)16-9-13-28(14-10-16)23(31)17-7-11-24-12-8-17/h2-6,16-17,24H,7-14H2,1H3,(H,25,26,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342506
PNG
(3-Methyl-1-phenyl-6-(1-pyrrolidin-3-yl-piperidin-4...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNC1
Show InChI InChI=1S/C21H26N6O/c1-14-18-20(27(25-14)16-5-3-2-4-6-16)23-19(24-21(18)28)15-8-11-26(12-9-15)17-7-10-22-13-17/h2-6,15,17,22H,7-13H2,1H3,(H,23,24,28)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130628
PNG
(US8822447, 111 | US9771375, Example 111)
Show SMILES CSc1nn(-c2ccc(N)cc2)c2cc(ccc12)C(=O)NC1CCNCC1
Show InChI InChI=1S/C20H23N5OS/c1-27-20-17-7-2-13(19(26)23-15-8-10-22-11-9-15)12-18(17)25(24-20)16-5-3-14(21)4-6-16/h2-7,12,15,22H,8-11,21H2,1H3,(H,23,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130638
PNG
(US8822447, 131 | US9771375, Example 131)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)CN3CCNCC3)ccc12
Show InChI InChI=1S/C20H23N5OS/c1-27-20-17-8-7-15(22-19(26)14-24-11-9-21-10-12-24)13-18(17)25(23-20)16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3,(H,22,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349734
PNG
(CHEMBL1809161 | US8822447, 132 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)CCN3CCNCC3)ccc12
Show InChI InChI=1S/C21H25N5OS/c1-28-21-18-8-7-16(23-20(27)9-12-25-13-10-22-11-14-25)15-19(18)26(24-21)17-5-3-2-4-6-17/h2-8,15,22H,9-14H2,1H3,(H,23,27)
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349744
PNG
(CHEMBL1809171 | US8822447, 140 | US9771375, Exampl...)
Show SMILES COc1ccc(cc1)-n1nc(SC)c2ccc(cc12)C1=CCNCC1
Show InChI InChI=1S/C20H21N3OS/c1-24-17-6-4-16(5-7-17)23-19-13-15(14-9-11-21-12-10-14)3-8-18(19)20(22-23)25-2/h3-9,13,21H,10-12H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130644
PNG
(US8822447, 142 | US9771375, Example 142)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)C1CCNCC1
Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-8-7-15(19(24)14-9-11-21-12-10-14)13-18(17)23(22-20)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130645
PNG
(US8822447, 144 | US9771375, Example 144)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C1=CCN(CC1)C(=O)CN
Show InChI InChI=1S/C21H21N5O3S/c1-30-21-18-7-2-15(14-8-10-24(11-9-14)20(27)13-22)12-19(18)25(23-21)16-3-5-17(6-4-16)26(28)29/h2-8,12H,9-11,13,22H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130649
PNG
(US8822447, 154 | US9771375, Example 154)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H17N3S/c1-25-21-19-10-9-17(8-7-16-11-13-22-14-12-16)15-20(19)24(23-21)18-5-3-2-4-6-18/h2-15H,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130666
PNG
(US8822447, 180 | US9771375, Example 180)
Show SMILES CSc1nn(-c2ccccc2C)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C20H21N3S/c1-14-5-3-4-6-18(14)23-19-13-16(15-9-11-21-12-10-15)7-8-17(19)20(22-23)24-2/h3-9,13,21H,10-12H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130667
PNG
(US8822447, 185 | US9771375, Example 185)
Show SMILES CSc1nn(-c2ccccc2)c2cc(CCC3CCNCC3)ccc12
Show InChI InChI=1S/C21H25N3S/c1-25-21-19-10-9-17(8-7-16-11-13-22-14-12-16)15-20(19)24(23-21)18-5-3-2-4-6-18/h2-6,9-10,15-16,22H,7-8,11-14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130557
PNG
(US8822447, 21 | US9771375, Example 21)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CNC1
Show InChI InChI=1S/C21H25N5S/c1-27-21-19-8-7-17(24-9-11-25(12-10-24)18-14-22-15-18)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130563
PNG
(US8822447, 28 | US9771375, Example 28)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC2CCCNC2)C1=O
Show InChI InChI=1S/C23H27N5OS/c1-30-22-20-10-9-19(14-21(20)28(25-22)18-7-3-2-4-8-18)27-13-12-26(23(27)29)16-17-6-5-11-24-15-17/h2-4,7-10,14,17,24H,5-6,11-13,15-16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349755
PNG
(CHEMBL1809182 | US8822447, 50 | US9771375, Example...)
Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CC2CNCC2C1
Show InChI InChI=1S/C21H24N4/c1-2-20-19-9-8-18(24-13-15-11-22-12-16(15)14-24)10-21(19)25(23-20)17-6-4-3-5-7-17/h3-10,15-16,22H,2,11-14H2,1H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))
BDBM130585
PNG
(US8822447, 63 | US9771375, Example 63)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNC1
Show InChI InChI=1S/C22H27N5/c1-17-21-8-7-19(15-22(21)27(24-17)18-5-3-2-4-6-18)25-11-13-26(14-12-25)20-9-10-23-16-20/h2-8,15,20,23H,9-14,16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130599
PNG
(US8822447, 78 | US9771375, Example 78)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H24N4O/c1-29-24-22-12-9-19(17-23(22)28(26-24)21-5-3-2-4-6-21)18-7-10-20(11-8-18)27-15-13-25-14-16-27/h2-12,17,25H,13-16H2,1H3
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n/an/a 4.42E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130603
PNG
(US8822447, 82 | US9771375, Example 82)
Show SMILES CCc1nn(-c2ccccc2)c2nc(ncc12)N1CCN(CC1)C1CNC1
Show InChI InChI=1S/C20H25N7/c1-2-18-17-14-22-20(26-10-8-25(9-11-26)16-12-21-13-16)23-19(17)27(24-18)15-6-4-3-5-7-15/h3-7,14,16,21H,2,8-13H2,1H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342512
PNG
(3-Ethyl-1-phenyl-6-(1-pyrrolidin-3-yl-piperidin-4-...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNC1
Show InChI InChI=1S/C22H28N6O/c1-2-18-19-21(28(26-18)16-6-4-3-5-7-16)24-20(25-22(19)29)15-9-12-27(13-10-15)17-8-11-23-14-17/h3-7,15,17,23H,2,8-14H2,1H3,(H,24,25,29)
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n/an/a 5.27E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342514
PNG
(US9771375, Example 96 | [4-(3-Ethyl-4-hydroxy-1-ph...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C24H30N6O2/c1-2-19-20-22(30(28-19)18-6-4-3-5-7-18)26-21(27-23(20)31)16-10-14-29(15-11-16)24(32)17-8-12-25-13-9-17/h3-7,16-17,25H,2,8-15H2,1H3,(H,26,27,31)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM342515
PNG
(3-Methyl-1-phenyl-6-(4-piperazin-1-yl-phenyl)-1H-p...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24N6O/c1-2-19-20-22(29(27-19)18-6-4-3-5-7-18)25-21(26-23(20)30)16-8-10-17(11-9-16)28-14-12-24-13-15-28/h3-11,24H,2,12-15H2,1H3,(H,25,26,30)
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n/an/a 2.71E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130619
PNG
(US8822447, 99 | US9771375, Example 99)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(CO)c12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25N5O/c1-17-23-19(16-30)15-22(26-24(23)29(27-17)21-5-3-2-4-6-21)18-7-9-20(10-8-18)28-13-11-25-12-14-28/h2-10,15,25,30H,11-14,16H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM8368
PNG
(CHEMBL1809167 | US8822447, 106 | US8822448, 179 | ...)
Show SMILES CSc1nn(-c2cccc(F)c2)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C19H18FN3S/c1-24-19-17-6-5-14(13-7-9-21-10-8-13)11-18(17)23(22-19)16-4-2-3-15(20)12-16/h2-7,11-12,21H,8-10H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130629
PNG
(US8822447, 112 | US9771375, Example 112)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NCC3CCNCC3)ccc12
Show InChI InChI=1S/C20H24N4S/c1-25-20-18-8-7-16(22-14-15-9-11-21-12-10-15)13-19(18)24(23-20)17-5-3-2-4-6-17/h2-8,13,15,21-22H,9-12,14H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM50349745
PNG
(CHEMBL1809172 | US8822447, 124 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C1=CCNCC1
Show InChI InChI=1S/C19H18N4O2S/c1-26-19-17-7-2-14(13-8-10-20-11-9-13)12-18(17)22(21-19)15-3-5-16(6-4-15)23(24)25/h2-8,12,20H,9-11H2,1H3
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n/an/a 490n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130641
PNG
(US8822447, 136 | US9771375, Example 136)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(O)C1CCNCC1
Show InChI InChI=1S/C20H23N3OS/c1-25-20-17-8-7-15(19(24)14-9-11-21-12-10-14)13-18(17)23(22-20)16-5-3-2-4-6-16/h2-8,13-14,19,21,24H,9-12H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130643
PNG
(US8822447, 141 | US8822447, 153 | US9771375, Examp...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCNCC3)ccc12
Show InChI InChI=1S/C21H23N3S/c1-25-21-19-10-9-17(8-7-16-11-13-22-14-12-16)15-20(19)24(23-21)18-5-3-2-4-6-18/h2-10,15-16,22H,11-14H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130655
PNG
(US8822447, 163 | US9771375, Example 163)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCCN1
Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-10-9-14(19(24)13-15-6-5-11-21-15)12-18(17)23(22-20)16-7-3-2-4-8-16/h2-4,7-10,12,15,21H,5-6,11,13H2,1H3
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n/an/a 8.28E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130659
PNG
(US8822447, 168 | US9771375, Example 168)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)C(=O)N1CCNCC1
Show InChI InChI=1S/C20H20N4O2S/c1-27-19-16-8-7-14(18(25)20(26)23-11-9-21-10-12-23)13-17(16)24(22-19)15-5-3-2-4-6-15/h2-8,13,21H,9-12H2,1H3
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n/an/a 4.12E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130660
PNG
(US8822447, 171 | US9771375, Example 171)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)c1ccc2ncn(C)c2c1
Show InChI InChI=1S/C23H18N4OS/c1-26-14-24-19-11-9-16(13-21(19)26)22(28)15-8-10-18-20(12-15)27(25-23(18)29-2)17-6-4-3-5-7-17/h3-14H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%