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BDBM130629 US8822447, 112

SMILES: CSc1nn(-c2ccccc2)c2cc(NCC3CCNCC3)ccc12

InChI Key: InChIKey=AVXUTMWGWLJUIZ-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 = 130629   
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))
BDBM130629
PNG
(US8822447, 112)
Show SMILES CSc1nn(-c2ccccc2)c2cc(NCC3CCNCC3)ccc12
Show InChI InChI=1S/C20H24N4S/c1-25-20-18-8-7-16(22-14-15-9-11-21-12-10-15)13-19(18)24(23-20)17-5-3-2-4-6-17/h2-8,13,15,21-22H,9-12,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 420n/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