Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50334598'   

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))	BDBM50334598 (5-chloro-N2-(3-(2,2-difluoroethyl)-8-methoxy-2,3,4...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(F)F)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C28H33ClF2N6O3/c1-38-24-14-19-6-8-36(17-26(30)31)7-5-18(19)13-23(24)34-28-32-16-21(29)27(35-28)33-22-4-3-20(15-25(22)39-2)37-9-11-40-12-10-37/h3-4,13-16,26H,5-12,17H2,1-2H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair