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4 similar compounds to monomer 50349726

Compile data set for download or QSAR
Wt: 347.4
BDBM130642
Wt: 343.4
BDBM130649
Wt: 343.4
BDBM130650
Wt: 357.4
BDBM130665

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 130642,130649,130650,130665   
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))
BDBM130642
PNG
(US8822447, 137 | US9771375, Example 137)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(O)c1ccncc1
Show InChI InChI=1/C20H17N3OS/c1-25-20-17-8-7-15(19(24)14-9-11-21-12-10-14)13-18(17)23(22-20)16-5-3-2-4-6-16/h2-13,19,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+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))
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/b8-7+
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))
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/b12-10+
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/b11-10+
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))
BDBM130642
PNG
(US8822447, 137 | US9771375, Example 137)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(O)c1ccncc1
Show InChI InChI=1/C20H17N3OS/c1-25-20-17-8-7-15(19(24)14-9-11-21-12-10-14)13-18(17)23(22-20)16-5-3-2-4-6-16/h2-13,19,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
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/b8-7+
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))
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/b12-10+
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))
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/b11-10+
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