Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50245300'   

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))	BDBM50245300 (CHEMBL4064580) Show SMILES CNS(=O)(=O)c1ccc(OC(F)(F)F)c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1 Show InChI InChI=1S/C17H14ClF3N6O3S/c1-22-31(28,29)11-3-4-13(30-17(19,20)21)12(6-11)26-15-7-16(25-9-24-15)27-14-5-2-10(18)8-23-14/h2-9,22H,1H3,(H2,23,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Myc-tagged TNNI3K autophosphorylation expressed in HEKMSR2 cells after 30 mins by DELFIA				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
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