Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50044423'   

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))	BDBM50044423 (CHEMBL3352867) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3CNC3)c2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3S/c1-14(2)34(32,33)20-9-4-3-8-19(20)29-21-18(24)13-26-23(30-21)28-17-7-5-6-16(10-17)27-22(31)15-11-25-12-15/h3-10,13-15,25H,11-12H2,1-2H3,(H,27,31)(H2,26,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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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