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BDBM130549 US8822447, 13

SMILES: CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCN3)ccc12

InChI Key: InChIKey=FWIVFRCVWMTDRR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130549   
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))
BDBM130549
PNG
(US8822447, 13)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCN3)ccc12
Show InChI InChI=1S/C19H20N4OS/c1-25-19-15-10-9-13(21-18(24)16-8-5-11-20-16)12-17(15)23(22-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16,20H,5,8,11H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 260n/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