Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50185236'   

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))	BDBM50185236 (CHEMBL3823078) Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C29H38ClFN7O2P/c1-36-13-15-37(16-14-36)20-9-11-38(12-10-20)25-18-26(40-2)24(17-22(25)31)34-29-32-19-21(30)28(35-29)33-23-7-5-6-8-27(23)41(3,4)39/h5-8,17-20H,9-16H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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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