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BDBM130618 US8822447, 98

SMILES: CCc1nn(-c2ccccc2)c2nc(cc(OC)c12)-c1ccc(cc1)N1CC(C)NC(C)C1

InChI Key: InChIKey=DTHATVXQAZKDKM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130618   
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))
BDBM130618
PNG
(US8822447, 98)
Show SMILES CCc1nn(-c2ccccc2)c2nc(cc(OC)c12)-c1ccc(cc1)N1CC(C)NC(C)C1
Show InChI InChI=1S/C27H31N5O/c1-5-23-26-25(33-4)15-24(29-27(26)32(30-23)22-9-7-6-8-10-22)20-11-13-21(14-12-20)31-16-18(2)28-19(3)17-31/h6-15,18-19,28H,5,16-17H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 300n/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