Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50193818'   

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))	BDBM50193818 (CHEMBL3925372) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193818 (CHEMBL3925372) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair