Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50113518'   

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))	BDBM50113518 (CHEMBL3604646) Show SMILES CC(C)Oc1cc(C2CN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-9-18(17-11-32(6)12-17)16(5)8-20(22)29-25-27-10-19(26)23(30-25)28-21-13-33(7)31-24(21)37(34,35)15(3)4/h8-10,13-15,17H,11-12H2,1-7H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113518 (CHEMBL3604646) Show SMILES CC(C)Oc1cc(C2CN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-9-18(17-11-32(6)12-17)16(5)8-20(22)29-25-27-10-19(26)23(30-25)28-21-13-33(7)31-24(21)37(34,35)15(3)4/h8-10,13-15,17H,11-12H2,1-7H3,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair