BDBM50118471 CHEMBL3613192

SMILES: CNS(=O)(=O)c1ccc(C)c(Nc2ncnc3[nH]ccc23)c1

InChI Key: InChIKey=WDRBENNMRSCBKB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50118471   

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
TNNI3K (Homo sapiens (Human))	BDBM50118471 (CHEMBL3613192) Show SMILES CNS(=O)(=O)c1ccc(C)c(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C14H15N5O2S/c1-9-3-4-10(22(20,21)15-2)7-12(9)19-14-11-5-6-16-13(11)17-8-18-14/h3-8,15H,1-2H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	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
TNNI3K (Homo sapiens (Human))	BDBM50118471 (CHEMBL3613192) Show SMILES CNS(=O)(=O)c1ccc(C)c(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C14H15N5O2S/c1-9-3-4-10(22(20,21)15-2)7-12(9)19-14-11-5-6-16-13(11)17-8-18-14/h3-8,15H,1-2H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	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) BindingDB Entry DOI: 10.7270/Q2FT8NV1
					More data for this Ligand-Target Pair