Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50044466'   

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))	BDBM50044466 (CHEMBL3357461) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC4CCC(C3)O4)c2)ncc1Cl Show InChI InChI=1S/C27H31ClN6O4S/c1-17(2)39(36,37)24-9-4-3-8-23(24)32-26-22(28)13-29-27(33-26)31-19-7-5-6-18(12-19)30-25(35)16-34-14-20-10-11-21(15-34)38-20/h3-9,12-13,17,20-21H,10-11,14-16H2,1-2H3,(H,30,35)(H2,29,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) after 60 mins by ELISA				J Med Chem 58: 197-211 (2015) Article DOI: 10.1021/jm5005144 BindingDB Entry DOI: 10.7270/Q2FB54MQ
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