Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50025755'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50025755 (CHEMBL3330863) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CC(=O)N4CCOCC4)Cc3s2)ncc1Cl Show InChI InChI=1S/C25H30ClN7O4S2/c1-16(2)39(35,36)21-6-4-3-5-19(21)28-23-17(26)13-27-24(30-23)31-25-29-18-7-8-32(14-20(18)38-25)15-22(34)33-9-11-37-12-10-33/h3-6,13,16H,7-12,14-15H2,1-2H3,(H2,27,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	775	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
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