Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K' and Ligand = 'BDBM50197802'   

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))	BDBM50197802 (CHEMBL3948258) Show SMILES CNS(=O)(=O)c1ccc(SC)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 Show InChI InChI=1S/C18H18ClN5O2S2/c1-20-28(25,26)14-7-8-16(27-2)15(9-14)24-18-10-17(21-11-22-18)23-13-5-3-12(19)4-6-13/h3-11,20H,1-2H3,(H2,21,22,23,24)	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
TBA Curated by ChEMBL					Assay Description Inhibition of mammalian ribonucleotide reductase				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))	BDBM50197802 (CHEMBL3948258) Show SMILES CNS(=O)(=O)c1ccc(SC)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 Show InChI InChI=1S/C18H18ClN5O2S2/c1-20-28(25,26)14-7-8-16(27-2)15(9-14)24-18-10-17(21-11-22-18)23-13-5-3-12(19)4-6-13/h3-11,20H,1-2H3,(H2,21,22,23,24)	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 59: 10629-10641 (2016) Article DOI: 10.1021/acs.jmedchem.6b01342 BindingDB Entry DOI: 10.7270/Q2V126RT
					More data for this Ligand-Target Pair