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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)' and Ligand = 'BDBM50445945'   
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-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50445945
PNG
(CHEMBL3105838)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1O
Show InChI InChI=1S/C17H13NO5S/c19-15-10-12(8-9-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50445945
PNG
(CHEMBL3105838)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1O
Show InChI InChI=1S/C17H13NO5S/c19-15-10-12(8-9-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 (unknown origin)


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair