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BDBM130590 US8822447, 68

SMILES: CN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1

InChI Key: InChIKey=FMBVSXRGSZEHMW-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130590   
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))
BDBM130590
PNG
(US8822447, 68)
Show SMILES CN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H22N4/c1-15-18-9-8-17(22-12-10-21(2)11-13-22)14-19(18)23(20-15)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.57E+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 US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair