Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50044460'   

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))	BDBM50044460 (CHEMBL3357455) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCNCC3)c2)ncc1Cl Show InChI InChI=1S/C25H30ClN7O3S/c1-17(2)37(35,36)22-9-4-3-8-21(22)31-24-20(26)15-28-25(32-24)30-19-7-5-6-18(14-19)29-23(34)16-33-12-10-27-11-13-33/h3-9,14-15,17,27H,10-13,16H2,1-2H3,(H,29,34)(H2,28,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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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