Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50185274'   

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))	BDBM50185274 (CHEMBL3824130) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCCN(C)CC1 Show InChI InChI=1S/C25H32ClN6O2P/c1-31-12-7-13-32(15-14-31)18-10-11-20(22(16-18)34-2)29-25-27-17-19(26)24(30-25)28-21-8-5-6-9-23(21)35(3,4)33/h5-6,8-11,16-17H,7,12-15H2,1-4H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	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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