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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM342491'   
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))
BDBM342491
PNG
(3-Methoxy-1-phenyl-6-(3-(piperazin-1-yl)azetidin-1...)
Show SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CN(C1)C1CCNCC1
Show InChI InChI=1S/C21H25N5O/c1-27-21-19-8-7-18(25-14-24(15-25)16-9-11-22-12-10-16)13-20(19)26(23-21)17-5-3-2-4-6-17/h2-8,13,16,22H,9-12,14-15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 390n/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