Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50321050'   

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))	BDBM50321050 (4-(2,5-Difluoro-benzyl)-6-[6-(4-methyl-piperazin-1...) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCC(Cc3cc(F)ccc3F)c2c1 Show InChI InChI=1S/C25H27F2N5/c1-31-8-10-32(11-9-31)24-5-2-18(15-29-24)20-14-22-17(6-7-28-25(22)30-16-20)12-19-13-21(26)3-4-23(19)27/h2-5,13-17H,6-12H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK by time-resolved fluorescence assay				Bioorg Med Chem 18: 4351-62 (2010) Article DOI: 10.1016/j.bmc.2010.04.087 BindingDB Entry DOI: 10.7270/Q2057GXW
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