Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50025677'   

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))	BDBM50025677 (CHEMBL3330877) Show SMILES [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)Cc1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1 |r| Show InChI InChI=1S/C25H30ClN7O3S2/c1-15(2)38(35,36)21-7-5-4-6-20(21)29-23-19(26)9-27-24(30-23)31-25-28-18(14-37-25)8-22(34)33-12-16-10-32(3)11-17(16)13-33/h4-7,9,14-17H,8,10-13H2,1-3H3,(H2,27,28,29,30,31)/t16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	243	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
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