Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50200536'   

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))	BDBM50200536 (CHEMBL3897774) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CC(C)OC(C)C2)CC1 Show InChI InChI=1S/C33H40N4O3/c1-6-23-14-25-26(32(4,5)31-29(30(25)38)24-8-7-22(18-34)13-27(24)35-31)15-28(23)37-11-9-36(10-12-37)19-33(39)16-20(2)40-21(3)17-33/h7-8,13-15,20-21,35,39H,6,9-12,16-17,19H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Ocean University of China Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA				Bioorg Med Chem Lett 26: 5399-5402 (2016) Article DOI: 10.1016/j.bmcl.2016.10.039 BindingDB Entry DOI: 10.7270/Q22809JW
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