Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50159518'   

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))	BDBM50159518 (CHEMBL3786976) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(nc2S(=O)(=O)C(C)C)C2CC2)n1 Show InChI InChI=1S/C28H38ClN7O3S/c1-16(2)39-25-13-21(19-8-10-30-11-9-19)18(5)12-23(25)33-28-31-14-22(29)26(34-28)32-24-15-36(20-6-7-20)35-27(24)40(37,38)17(3)4/h12-17,19-20,30H,6-11H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159518 (CHEMBL3786976) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(nc2S(=O)(=O)C(C)C)C2CC2)n1 Show InChI InChI=1S/C28H38ClN7O3S/c1-16(2)39-25-13-21(19-8-10-30-11-9-19)18(5)12-23(25)33-28-31-14-22(29)26(34-28)32-24-15-36(20-6-7-20)35-27(24)40(37,38)17(3)4/h12-17,19-20,30H,6-11H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair