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2 similar compounds to monomer 130627

Compile data set for download or QSAR
Wt: 397.4
BDBM130639
Wt: 381.4
BDBM130628

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 130639,130628   
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))
BDBM130628
PNG
(US8822447, 111 | US9771375, Example 111)
Show SMILES CSc1nn(-c2ccc(N)cc2)c2cc(ccc12)C(=O)NC1CCNCC1
Show InChI InChI=1S/C20H23N5OS/c1-27-20-17-7-2-13(19(26)23-15-8-10-22-11-9-15)12-18(17)25(24-20)16-5-3-14(21)4-6-16/h2-7,12,15,22H,8-11,21H2,1H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.61E+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))
BDBM130639
PNG
(US8822447, 133 | US9771375, Example 133)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C(=O)N1CCNCC1
Show InChI InChI=1S/C19H19N5O3S/c1-28-18-16-7-2-13(19(25)22-10-8-20-9-11-22)12-17(16)23(21-18)14-3-5-15(6-4-14)24(26)27/h2-7,12,20H,8-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>5.10E+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))
BDBM130628
PNG
(US8822447, 111 | US9771375, Example 111)
Show SMILES CSc1nn(-c2ccc(N)cc2)c2cc(ccc12)C(=O)NC1CCNCC1
Show InChI InChI=1S/C20H23N5OS/c1-27-20-17-7-2-13(19(26)23-15-8-10-22-11-9-15)12-18(17)25(24-20)16-5-3-14(21)4-6-16/h2-7,12,15,22H,8-11,21H2,1H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.61E+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))
BDBM130639
PNG
(US8822447, 133 | US9771375, Example 133)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C(=O)N1CCNCC1
Show InChI InChI=1S/C19H19N5O3S/c1-28-18-16-7-2-13(19(25)22-10-8-20-9-11-22)12-17(16)23(21-18)14-3-5-15(6-4-14)24(26)27/h2-7,12,20H,8-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>5.10E+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