Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50044300'   

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))	BDBM50044300 (CHEMBL3356908) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CNC(=O)N3CCCC3)c2)ncc1Cl Show InChI InChI=1S/C25H27ClN8O3/c1-27-23(36)18-9-2-3-10-20(18)32-22-19(26)14-28-24(33-22)31-17-8-6-7-16(13-17)30-21(35)15-29-25(37)34-11-4-5-12-34/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,27,36)(H,29,37)(H,30,35)(H2,28,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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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