Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50382663'   

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))	BDBM50382663 (CHEMBL2023553) Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC |r| Show InChI InChI=1S/C27H33N5O4/c1-18(19-9-6-5-7-10-19)29-26(33)20-11-8-14-32(17-20)24-12-13-28-27(31-24)30-21-15-22(34-2)25(36-4)23(16-21)35-3/h5-7,9-10,12-13,15-16,18,20H,8,11,14,17H2,1-4H3,(H,29,33)(H,28,30,31)/t18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620) expressed in SF9 cells using Biotin-Ahx- EQEDEPEGIYGVLF-OH as substrat...				J Med Chem 55: 1698-705 (2012) Article DOI: 10.1021/jm201565s BindingDB Entry DOI: 10.7270/Q20P111R
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