Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50025693'   

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))	BDBM50025693 (CHEMBL3330875) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CC3(C2)CCNCC3)ncc1Cl Show InChI InChI=1S/C24H28ClN7O3S2/c1-15(2)37(34,35)19-6-4-3-5-17(19)28-20-16(25)11-27-22(30-20)31-23-29-18(12-36-23)21(33)32-13-24(14-32)7-9-26-10-8-24/h3-6,11-12,15,26H,7-10,13-14H2,1-2H3,(H2,27,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
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