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3 similar compounds to monomer 130546

Compile data set for download or QSAR
Wt: 374.4
BDBM130547
Wt: 360.4
BDBM130550
Wt: 429.5
BDBM130553

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 130547,130550,130553   
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))
BDBM130547
PNG
(US8822447, 9 | US9771375, Example 9)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H18N4OS/c1-27-21-18-8-7-16(23-20(26)13-15-9-11-22-12-10-15)14-19(18)25(24-21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.68E+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))
BDBM130550
PNG
(US8822447, 14 | US9771375, Example 14)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12
Show InChI InChI=1S/C20H16N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25)
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))
BDBM130553
PNG
(US8822447, 17 | US9771375, Example 17)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H23N5OS/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/h2-12,17H,13-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM130547
PNG
(US8822447, 9 | US9771375, Example 9)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H18N4OS/c1-27-21-18-8-7-16(23-20(26)13-15-9-11-22-12-10-15)14-19(18)25(24-21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.68E+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))
BDBM130550
PNG
(US8822447, 14 | US9771375, Example 14)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12
Show InChI InChI=1S/C20H16N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25)
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)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130553
PNG
(US8822447, 17 | US9771375, Example 17)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H23N5OS/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/h2-12,17H,13-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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