Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1' and Ligand = 'BDBM50082202'   

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 1 (Homo sapiens (Human))	BDBM50082202 (CHEMBL3422669) Show SMILES CCn1cc(C#N)c2cc(Oc3ccc(cc3)N(C)C(=O)[C@@H]3CCC(=O)N3)ccc12 |r| Show InChI InChI=1S/C23H22N4O3/c1-3-27-14-15(13-24)19-12-18(8-10-21(19)27)30-17-6-4-16(5-7-17)26(2)23(29)20-9-11-22(28)25-20/h4-8,10,12,14,20H,3,9,11H2,1-2H3,(H,25,28)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB1 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
					More data for this Ligand-Target Pair