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3 similar compounds to monomer 130643

Compile data set for download or QSAR
Wt: 343.4
BDBM130649
Wt: 335.4
BDBM130663
Wt: 349.4
BDBM130664

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 130649,130663,130664   
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))
BDBM130649
PNG
(US8822447, 154 | US9771375, Example 154)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H17N3S/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/h2-15H,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))
BDBM130663
PNG
(US8822447, 175 | US9771375, Example 175)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCCN3)ccc12
Show InChI InChI=1S/C20H21N3S/c1-24-20-18-12-10-15(9-11-16-6-5-13-21-16)14-19(18)23(22-20)17-7-3-2-4-8-17/h2-4,7-12,14,16,21H,5-6,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 610n/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))
BDBM130664
PNG
(US8822447, 176 | US9771375, Example 176)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCCNC3)ccc12
Show InChI InChI=1S/C21H23N3S/c1-25-21-19-12-11-16(9-10-17-6-5-13-22-15-17)14-20(19)24(23-21)18-7-3-2-4-8-18/h2-4,7-12,14,17,22H,5-6,13,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 790n/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))
BDBM130649
PNG
(US8822447, 154 | US9771375, Example 154)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H17N3S/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/h2-15H,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)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130663
PNG
(US8822447, 175 | US9771375, Example 175)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCCN3)ccc12
Show InChI InChI=1S/C20H21N3S/c1-24-20-18-12-10-15(9-11-16-6-5-13-21-16)14-19(18)23(22-20)17-7-3-2-4-8-17/h2-4,7-12,14,16,21H,5-6,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 610n/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))
BDBM130664
PNG
(US8822447, 176 | US9771375, Example 176)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCCNC3)ccc12
Show InChI InChI=1S/C21H23N3S/c1-25-21-19-12-11-16(9-10-17-6-5-13-22-15-17)14-20(19)24(23-21)18-7-3-2-4-8-18/h2-4,7-12,14,17,22H,5-6,13,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 790n/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