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8 similar compounds to monomer 130559

Compile data set for download or QSAR
Wt: 324.4
BDBM50349724
Wt: 379.5
BDBM130551
Wt: 415.5
BDBM130554
Wt: 379.5
BDBM130557
Wt: 401.5
BDBM130564
Wt: 415.5
BDBM130567
Wt: 367.5
BDBM130656
Wt: 338.4
BDBM130631

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50349724,130551,130554,130557,130564,130567,130656,130631   
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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US Patent
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))
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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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))
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/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))
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/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))
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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n/an/a 4.12E+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))
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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US Patent
n/an/a 890n/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))
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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Article
PubMed
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))
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
PDB
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US Patent
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))
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
PDB
MMDB

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US Patent
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))
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))
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))
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/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))
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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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))
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