null

SMILES: CNc1ccc(cc1Nc1cc(Nc2ccc(Cl)cc2)ncn1)S(=O)(=O)NC

InChI Key: InChIKey=DGBWWPQCIACZAA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50197736   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50197736 (CHEMBL3981783) Show SMILES CNc1ccc(cc1Nc1cc(Nc2ccc(Cl)cc2)ncn1)S(=O)(=O)NC Show InChI InChI=1S/C18H19ClN6O2S/c1-20-15-8-7-14(28(26,27)21-2)9-16(15)25-18-10-17(22-11-23-18)24-13-5-3-12(19)4-6-13/h3-11,20-21H,1-2H3,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3...				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))	BDBM50197736 (CHEMBL3981783) Show SMILES CNc1ccc(cc1Nc1cc(Nc2ccc(Cl)cc2)ncn1)S(=O)(=O)NC Show InChI InChI=1S/C18H19ClN6O2S/c1-20-15-8-7-14(28(26,27)21-2)9-16(15)25-18-10-17(22-11-23-18)24-13-5-3-12(19)4-6-13/h3-11,20-21H,1-2H3,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	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