Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50118389'   

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))	BDBM50118389 (CHEMBL3612641) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cnc23)c1 Show InChI InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	500	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				3D Structure (crystal)
Serine/threonine-protein kinase TNNI3K (Homo sapiens (Human))	BDBM50118389 (CHEMBL3612641) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cnc23)c1 Show InChI InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	500	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				3D Structure (crystal)
Serine/threonine-protein kinase TNNI3K (Homo sapiens (Human))	BDBM50118389 (CHEMBL3612641) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cnc23)c1 Show InChI InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to TNNI3K (unknown origin)				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				3D Structure (crystal)