BDBM50245266 CHEMBL4094583

SMILES: CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(Br)c3)ncn2)c1

InChI Key: InChIKey=IGMFZMWEIHCRKO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50245266   

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))	BDBM50245266 (CHEMBL4094583) Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(Br)c3)ncn2)c1 Show InChI InChI=1S/C17H16BrN5O2S/c1-19-26(24,25)15-7-3-6-14(9-15)23-17-10-16(20-11-21-17)22-13-5-2-4-12(18)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 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