Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50025694'   

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))	BDBM50025694 (CHEMBL3330874) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CC3CCC(C2)O3)ncc1Cl Show InChI InChI=1S/C23H25ClN6O4S2/c1-13(2)36(32,33)19-6-4-3-5-17(19)26-20-16(24)9-25-22(28-20)29-23-27-18(12-35-23)21(31)30-10-14-7-8-15(11-30)34-14/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H2,25,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	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