Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50113509'   

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))	BDBM50113509 (CHEMBL3604631) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-12-19(18-7-9-28-10-8-18)17(5)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(6)33-25(22)38(35,36)16(3)4/h11-16,18,28H,7-10H2,1-6H3,(H2,29,30,31,32)	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))	BDBM50113509 (CHEMBL3604631) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-12-19(18-7-9-28-10-8-18)17(5)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(6)33-25(22)38(35,36)16(3)4/h11-16,18,28H,7-10H2,1-6H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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))	BDBM50113509 (CHEMBL3604631) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-12-19(18-7-9-28-10-8-18)17(5)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(6)33-25(22)38(35,36)16(3)4/h11-16,18,28H,7-10H2,1-6H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113509 (CHEMBL3604631) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-12-19(18-7-9-28-10-8-18)17(5)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(6)33-25(22)38(35,36)16(3)4/h11-16,18,28H,7-10H2,1-6H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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