BDBM50025747 CHEMBL3330869

SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)NCCN2CCOCC2)ncc1Cl

InChI Key: InChIKey=OVOJQDBCGZKMOU-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 = 50025747   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50025747 (CHEMBL3330869) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)NCCN2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H28ClN7O4S2/c1-15(2)37(33,34)19-6-4-3-5-17(19)27-20-16(24)13-26-22(29-20)30-23-28-18(14-36-23)21(32)25-7-8-31-9-11-35-12-10-31/h3-6,13-15H,7-12H2,1-2H3,(H,25,32)(H2,26,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
					More data for this Ligand-Target Pair