Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50025758'   

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))	BDBM50025758 (CHEMBL3330860) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCN4CCOCC4)CCc3s2)ncc1Cl Show InChI InChI=1S/C26H34ClN7O3S2/c1-18(2)39(35,36)23-6-4-3-5-21(23)29-24-19(27)17-28-25(31-24)32-26-30-20-7-9-33(10-8-22(20)38-26)11-12-34-13-15-37-16-14-34/h3-6,17-18H,7-16H2,1-2H3,(H2,28,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	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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