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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM130561'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ketohexokinase


(Homo sapiens (Human))
BDBM130561
PNG
(US8822447, 26 | US9771375, Example 26)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C22H25N5OS/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+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))
BDBM130561
PNG
(US8822447, 26 | US9771375, Example 26)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(C2CCNCC2)C1=O
Show InChI InChI=1S/C22H25N5OS/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+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