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 = 'BDBM50082118'   

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))	BDBM50082118 (CHEMBL3422678) Show SMILES Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 |r| Show InChI InChI=1S/C25H24N6O3/c1-15-21(16(2)34-30-15)14-31-24-10-9-19(12-20(24)23(13-26)29-31)33-18-7-5-17(6-8-18)28-25(32)22-4-3-11-27-22/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,32)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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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