Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50044307'   

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))	BDBM50044307 (CHEMBL3357443) Show SMILES CS(=O)(=O)N1CCN(c2ccccc12)c1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl Show InChI InChI=1S/C21H22ClN7O3S/c1-33(31,32)29-10-9-28(17-7-2-3-8-18(17)29)20-16(22)13-24-21(27-20)26-15-6-4-5-14(11-15)25-19(30)12-23/h2-8,11,13H,9-10,12,23H2,1H3,(H,25,30)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	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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