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4 similar compounds to monomer 130649

Compile data set for download or QSAR
Wt: 317.4
BDBM50349726
Wt: 343.4
BDBM130650
Wt: 357.4
BDBM130665
Wt: 349.4
BDBM130643

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50349726,130650,130665,130643   
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 230n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 400n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 230n/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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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