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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '6-phospho-1-fructokinase' and Ligand = 'BDBM50446120'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50446120
PNG
(CHEMBL3108839)
Show SMILES CN(c1cc(C)on1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-9-18(23-28-12)24(2)29(26,27)15-6-4-14(5-7-15)22-19(25)11-13-3-8-16(20)17(21)10-13/h3-10H,11H2,1-2H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.91E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair