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14 similar compounds to monomer 130640

Compile data set for download or QSAR
Wt: 324.4
BDBM50349724
Wt: 336.4
BDBM50349727
Wt: 407.5
BDBM50349735
Wt: 338.4
BDBM130548
Wt: 443.5
BDBM130634
Wt: 379.5
BDBM130551
Wt: 393.5
BDBM130555
Wt: 407.5
BDBM130556
Wt: 379.5
BDBM130557
Wt: 393.5
BDBM130558
Wt: 407.5
BDBM130561
Wt: 401.5
BDBM130564
Wt: 338.4
BDBM130626
Wt: 421.6
BDBM130632

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50349724,50349727,50349735,130548,130634,130551,130555,130556,130557,130558,130561,130564,130626,130632   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/a 560n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 4.22E+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))
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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n/an/a 540n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 560n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 300n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 770n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 380n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 4.22E+3n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
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/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 2.82E+3n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
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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n/an/a 560n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysis


Bioorg Med Chem Lett 21: 4762-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.067
BindingDB Entry DOI: 10.7270/Q2M61KMR
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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n/an/a 710n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysis


Bioorg Med Chem Lett 21: 4762-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.067
BindingDB Entry DOI: 10.7270/Q2M61KMR
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 670n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysis


Bioorg Med Chem Lett 21: 4762-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.067
BindingDB Entry DOI: 10.7270/Q2M61KMR
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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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))
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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n/an/a 710n/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))
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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n/an/a 540n/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))
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))
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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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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n/an/a 2.82E+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))
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))
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))
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))
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))
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))
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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n/an/a 380n/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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n/an/a 710n/an/an/an/an/a25



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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair