Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50170078'   

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))	BDBM50170078 (CHEMBL3806196) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4ccccc4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H36N6O2/c1-36-13-15-37(16-14-36)25-8-9-26(29(21-25)32-24-11-17-39-18-12-24)31(38)33-30-27-20-23(7-10-28(27)34-35-30)19-22-5-3-2-4-6-22/h2-10,20-21,24,32H,11-19H2,1H3,(H2,33,34,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
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