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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM342507'   
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))
BDBM342507
PNG
(6-[1,4′]Bipiperidinyl-4-yl-3-methyl-1-phenyl...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNCC1
Show InChI InChI=1S/C22H28N6O/c1-15-19-21(28(26-15)18-5-3-2-4-6-18)24-20(25-22(19)29)16-9-13-27(14-10-16)17-7-11-23-12-8-17/h2-6,16-17,23H,7-14H2,1H3,(H,24,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+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