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BDBM130620 US8822447, 100

SMILES: CCc1nn(-c2ccccc2)c2nc(cc(O)c12)-c1ccc(NC2CCNCC2)cc1

InChI Key: InChIKey=NVSAJOLPIGWYLQ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130620   
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))
BDBM130620
PNG
(US8822447, 100)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(O)c12)-c1ccc(NC2CCNCC2)cc1
Show InChI InChI=1S/C25H27N5O/c1-2-21-24-23(31)16-22(28-25(24)30(29-21)20-6-4-3-5-7-20)17-8-10-18(11-9-17)27-19-12-14-26-15-13-19/h3-11,16,19,26-27H,2,12-15H2,1H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.72E+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