Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50118426'   

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))	BDBM50118426 (CHEMBL3613182) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccc(cc4)C(O)=O)c23)c1 Show InChI InChI=1S/C20H17N5O4S/c1-21-30(28,29)15-4-2-3-14(9-15)25-19-17-16(10-22-18(17)23-11-24-19)12-5-7-13(8-6-12)20(26)27/h2-11,21H,1H3,(H,26,27)(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...				J Med Chem 58: 7431-48 (2015) Article DOI: 10.1021/acs.jmedchem.5b00931 BindingDB Entry DOI: 10.7270/Q2FT8NV1
					More data for this Ligand-Target Pair