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SMILES: CC(=O)c1nnn(c1C)-c1cnn(-c2cncnc2)c(=O)c1Br

InChI Key: InChIKey=BNFZCGCMWRGECL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50445930   
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))		BDBM50445930
PNG
(CHEMBL3105829)
Show SMILES CC(=O)c1nnn(c1C)-c1cnn(-c2cncnc2)c(=O)c1Br
Show InChI InChI=1S/C13H10BrN7O2/c1-7-12(8(2)22)18-19-20(7)10-5-17-21(13(23)11(10)14)9-3-15-6-16-4-9/h3-6H,1-2H3
PDB

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Similars
Article
PubMed
n/an/a 9.60E+3n/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