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' and Ligand = 'BDBM50508546'   

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 3 (Homo sapiens (Human))	BDBM50508546 (CHEMBL4452310) Show SMILES CN(C)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C25H23N5O2S/c1-29(2)33(31,32)24-7-5-4-6-21(24)28-19-15-20(25-22(16-19)26-11-12-27-25)18-9-8-17-10-13-30(3)23(17)14-18/h4-16,28H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508546 (CHEMBL4452310) Show SMILES CN(C)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C25H23N5O2S/c1-29(2)33(31,32)24-7-5-4-6-21(24)28-19-15-20(25-22(16-19)26-11-12-27-25)18-9-8-17-10-13-30(3)23(17)14-18/h4-16,28H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human HCT116 cell lysates assessed as reduction in glycolytic-flux induced fructose-2,6-bisphosphate formation using fructose...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair