Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50044462'   

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))	BDBM50044462 (CHEMBL3357457) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCN(CC3)C3COC3)c2)ncc1Cl Show InChI InChI=1S/C28H34ClN7O4S/c1-19(2)41(38,39)25-9-4-3-8-24(25)33-27-23(29)15-30-28(34-27)32-21-7-5-6-20(14-21)31-26(37)16-35-10-12-36(13-11-35)22-17-40-18-22/h3-9,14-15,19,22H,10-13,16-18H2,1-2H3,(H,31,37)(H2,30,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	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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