Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphoenolpyruvate carboxykinase, cytosolic [GTP] [H477R]' and Ligand = 'BDBM223201'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] [H477R] (Rattus norvegicus (Rat))	BDBM223201 (β-Sulfopyruvate) Show SMILES OC(=O)C(=O)CS(O)(=O)=O Show InChI InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)	PDB GoogleScholar	DrugBank KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo					Assay Description The inhibition of H477R PEPCK by β-sulfopyruvate (βSP), oxalate, and GMPPCP was conducted in the direction of PEP synthesis (OAA → PE...				Biochemistry 56: 2106-2115 (2017) Article DOI: 10.1021/acs.biochem.7b00178 BindingDB Entry DOI: 10.7270/Q2D50KTV
					More data for this Ligand-Target Pair				3D Structure (crystal)