Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50245273'   

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
Serine/threonine-protein kinase TNNI3K (Homo sapiens (Human))	BDBM50245273 (CHEMBL4100539) Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)S(C)(=O)=O)ncn2)c1 Show InChI InChI=1S/C18H19N5O4S2/c1-19-29(26,27)16-8-4-6-14(10-16)23-18-11-17(20-12-21-18)22-13-5-3-7-15(9-13)28(2,24)25/h3-12,19H,1-2H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
					More data for this Ligand-Target Pair