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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 = 'BDBM50446094'   
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)
BDBM50446094
PNG
(CHEMBL3108864)
Show SMILES Clc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cncnc2)cc1Cl
Show InChI InChI=1S/C18H14Cl2N4O3S/c19-16-6-1-12(7-17(16)20)8-18(25)23-13-2-4-15(5-3-13)28(26,27)24-14-9-21-11-22-10-14/h1-7,9-11,24H,8H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 820n/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