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5 similar compounds to monomer 130569

Compile data set for download or QSAR
Wt: 407.5
BDBM50349735
Wt: 435.5
BDBM50349736
Wt: 352.4
BDBM130549
Wt: 435.5
BDBM130552
Wt: 421.5
BDBM130568

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50349735,50349736,130549,130552,130568   
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))
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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US Patent
n/an/a 260n/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))
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
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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US Patent
n/an/a 2.89E+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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
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PC sid
UniChem

Patents


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US Patent
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))
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
PDB
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KEGG

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UniChem

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US Patent
n/an/a 5.34E+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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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US Patent
n/an/a 830n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
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UniChem

Patents


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US Patent
n/an/a 830n/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))
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
PDB
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KEGG

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Article
PubMed
n/an/a 830n/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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

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US Patent
n/an/a 260n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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US Patent
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
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