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BDBM130664 US8822447, 176

SMILES: CSc1nn(-c2ccccc2)c2cc(C=CC3CCCNC3)ccc12

InChI Key: InChIKey=BRLPYAJYFQGJFR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130664   
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))
BDBM130664
PNG
(US8822447, 176)
Show SMILES CSc1nn(-c2ccccc2)c2cc(C=CC3CCCNC3)ccc12
Show InChI InChI=1S/C21H23N3S/c1-25-21-19-12-11-16(9-10-17-6-5-13-22-15-17)14-20(19)24(23-21)18-7-3-2-4-8-18/h2-4,7-12,14,17,22H,5-6,13,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 790n/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