Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50294542'   

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))	BDBM50294542 (1-Methoxy-3-methyl-10-(4-methyl-piperazin-1-yl)-5-...) Show SMILES COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12 Show InChI InChI=1S/C30H35N5O/c1-21-19-27-28(30(31-21)36-3)29-25(12-14-35(27)13-11-22-7-5-4-6-8-22)24-10-9-23(20-26(24)32-29)34-17-15-33(2)16-18-34/h4-10,19-20,32H,11-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
St Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 6xHis-tagged human NPM-ALK expressed in insect cells				Bioorg Med Chem 17: 3308-16 (2009) Article DOI: 10.1016/j.bmc.2009.03.046 BindingDB Entry DOI: 10.7270/Q2GX4BKJ
					More data for this Ligand-Target Pair