Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2' and Ligand = 'BDBM50082122'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2 (Homo sapiens (Human))	BDBM50082122 (CHEMBL3421732) Show SMILES CC(C)Cn1cc(C#N)c2cc(Nc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 |r| Show InChI InChI=1S/C24H27N5O/c1-16(2)14-29-15-17(13-25)21-12-20(9-10-23(21)29)27-18-5-7-19(8-6-18)28-24(30)22-4-3-11-26-22/h5-10,12,15-16,22,26-27H,3-4,11,14H2,1-2H3,(H,28,30)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
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