BDBM50025760 CHEMBL3330858

SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CC4CCOCC4)CCc3s2)ncc1Cl

InChI Key: InChIKey=DWJNHINWVDZHBR-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 = 50025760   

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))	BDBM50025760 (CHEMBL3330858) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CC4CCOCC4)CCc3s2)ncc1Cl Show InChI InChI=1S/C26H33ClN6O3S2/c1-17(2)38(34,35)23-6-4-3-5-21(23)29-24-19(27)15-28-25(31-24)32-26-30-20-7-11-33(12-8-22(20)37-26)16-18-9-13-36-14-10-18/h3-6,15,17-18H,7-14,16H2,1-2H3,(H2,28,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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