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10 similar compounds to monomer 50349731

Compile data set for download or QSAR
Wt: 366.4
BDBM50330259
Wt: 366.4
BDBM50349730
Wt: 338.4
BDBM50349732
Wt: 380.5
BDBM50349733
Wt: 395.5
BDBM50349734
Wt: 380.5
BDBM130543
Wt: 381.4
BDBM130651
Wt: 380.5
BDBM130652
Wt: 384.4
BDBM130658
Wt: 442.5
BDBM130661

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50330259,50349730,50349732,50349733,50349734,130543,130651,130652,130658,130661   
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))
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/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))
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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n/an/a 2.15E+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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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/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
3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))
BDBM50349730
PNG
(CHEMBL1809157 | US8822447, 12 | US9771375, Example...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12
Show InChI InChI=1/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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n/an/a 310n/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))
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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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))
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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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))
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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n/an/a 700n/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))
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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n/an/a 660n/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))
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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n/an/a 2.15E+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
Cytochrome P450 1A


(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>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2


J Med Chem 53: 7979-91 (2010)


Article DOI: 10.1021/jm100677s
BindingDB Entry DOI: 10.7270/Q2Z038D4
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4


J Med Chem 53: 7979-91 (2010)


Article DOI: 10.1021/jm100677s
BindingDB Entry DOI: 10.7270/Q2Z038D4
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9


J Med Chem 53: 7979-91 (2010)


Article DOI: 10.1021/jm100677s
BindingDB Entry DOI: 10.7270/Q2Z038D4
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19


J Med Chem 53: 7979-91 (2010)


Article DOI: 10.1021/jm100677s
BindingDB Entry DOI: 10.7270/Q2Z038D4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6


J Med Chem 53: 7979-91 (2010)


Article DOI: 10.1021/jm100677s
BindingDB Entry DOI: 10.7270/Q2Z038D4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 8.13E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 53: 7979-91 (2010)


Article DOI: 10.1021/jm100677s
BindingDB Entry DOI: 10.7270/Q2Z038D4
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 330n/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
3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))
BDBM50349730
PNG
(CHEMBL1809157 | US8822447, 12 | US9771375, Example...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12
Show InChI InChI=1/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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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))
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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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))
BDBM50349733
PNG
(CHEMBL1809160)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)CC3CCNCC3)ccc12
Show InChI InChI=1S/C21H24N4OS/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/h2-8,14-15,22H,9-13H2,1H3,(H,23,26)
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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))
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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n/an/a 380n/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))
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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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=1/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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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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))
BDBM50349730
PNG
(CHEMBL1809157 | US8822447, 12 | US9771375, Example...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12
Show InChI InChI=1/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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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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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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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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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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n/an/a 700n/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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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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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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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=1/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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n/an/a 860n/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