Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50118399'   

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))	BDBM50118399 (CHEMBL3612650) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3NC(=O)Cc23)c1 Show InChI InChI=1S/C13H13N5O3S/c1-14-22(20,21)9-4-2-3-8(5-9)17-12-10-6-11(19)18-13(10)16-7-15-12/h2-5,7,14H,6H2,1H3,(H2,15,16,17,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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
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