Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50025746'   

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))	BDBM50025746 (CHEMBL3330870) Show SMILES COc1cc(NC(=O)c2csc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)n2)cc(OC)c1OC Show InChI InChI=1S/C26H27ClN6O6S2/c1-14(2)41(35,36)21-9-7-6-8-17(21)30-23-16(27)12-28-25(32-23)33-26-31-18(13-40-26)24(34)29-15-10-19(37-3)22(39-5)20(11-15)38-4/h6-14H,1-5H3,(H,29,34)(H2,28,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
					More data for this Ligand-Target Pair