Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50185246'   

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))	BDBM50185246 (CHEMBL3822645) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H31ClN7O2P/c1-37-24-14-18(19-15-31-35(17-19)20-10-12-29-13-11-20)8-9-22(24)33-27-30-16-21(28)26(34-27)32-23-6-4-5-7-25(23)38(2,3)36/h4-9,14-17,20,29H,10-13H2,1-3H3,(H2,30,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr				J Med Chem 59: 4948-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00306 BindingDB Entry DOI: 10.7270/Q2NK3H0Q
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