Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50197739'   

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))	BDBM50197739 (CHEMBL3915155) Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 Show InChI InChI=1S/C17H16ClN5O2S/c1-19-26(24,25)15-4-2-3-14(9-15)23-17-10-16(20-11-21-17)22-13-7-5-12(18)6-8-13/h2-11,19H,1H3,(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	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against purine binding site of Purine nucleoside Phosphorylase				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
Serine/threonine-protein kinase TNNI3K (Homo sapiens (Human))	BDBM50197739 (CHEMBL3915155) Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 Show InChI InChI=1S/C17H16ClN5O2S/c1-19-26(24,25)15-4-2-3-14(9-15)23-17-10-16(20-11-21-17)22-13-7-5-12(18)6-8-13/h2-11,19H,1H3,(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	80	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 59: 10629-10641 (2016) Article DOI: 10.1021/acs.jmedchem.6b01342 BindingDB Entry DOI: 10.7270/Q2V126RT
					More data for this Ligand-Target Pair