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3 similar compounds to monomer 130635

Compile data set for download or QSAR
Wt: 339.4
BDBM50349728
Wt: 353.4
BDBM50349729
Wt: 432.3
BDBM130636

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50349728,50349729,130636   
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))
BDBM50349728
PNG
(CHEMBL1809155 | US8822447, 121 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(OC3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3OS/c1-24-19-17-8-7-16(23-15-9-11-20-12-10-15)13-18(17)22(21-19)14-5-3-2-4-6-14/h2-8,13,15,20H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
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
Ketohexokinase


(Homo sapiens (Human))
BDBM130636
PNG
(US8822447, 128 | US9771375, Example 128)
Show SMILES CSc1nn(-c2ccc(Br)cc2)c2cc(OCC3CCNCC3)ccc12
Show InChI InChI=1S/C20H22BrN3OS/c1-26-20-18-7-6-17(25-13-14-8-10-22-11-9-14)12-19(18)24(23-20)16-4-2-15(21)3-5-16/h2-7,12,14,22H,8-11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 920n/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))
BDBM130636
PNG
(US8822447, 128 | US9771375, Example 128)
Show SMILES CSc1nn(-c2ccc(Br)cc2)c2cc(OCC3CCNCC3)ccc12
Show InChI InChI=1S/C20H22BrN3OS/c1-26-20-18-7-6-17(25-13-14-8-10-22-11-9-14)12-19(18)24(23-20)16-4-2-15(21)3-5-16/h2-7,12,14,22H,8-11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 920n/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))
BDBM50349729
PNG
(CHEMBL1809156)
Show SMILES CSc1nn(-c2ccccc2)c2cc(OCC3CCNCC3)ccc12
Show InChI InChI=1S/C20H23N3OS/c1-25-20-18-8-7-17(24-14-15-9-11-21-12-10-15)13-19(18)23(22-20)16-5-3-2-4-6-16/h2-8,13,15,21H,9-12,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/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))
BDBM50349728
PNG
(CHEMBL1809155 | US8822447, 121 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(OC3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3OS/c1-24-19-17-8-7-16(23-15-9-11-20-12-10-15)13-18(17)22(21-19)14-5-3-2-4-6-14/h2-8,13,15,20H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM50349728
PNG
(CHEMBL1809155 | US8822447, 121 | US9771375, Exampl...)
Show SMILES CSc1nn(-c2ccccc2)c2cc(OC3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3OS/c1-24-19-17-8-7-16(23-15-9-11-20-12-10-15)13-18(17)22(21-19)14-5-3-2-4-6-14/h2-8,13,15,20H,9-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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