Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50344661'   

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))	BDBM50344661 (6,6-dimethyl-8-(4-(methylsulfonyl)piperazin-1-yl)-...) Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)S(C)(=O)=O)C#N Show InChI InChI=1S/C24H24N4O3S/c1-24(2)19-13-16(27-8-10-28(11-9-27)32(3,30)31)5-7-17(19)22(29)21-18-6-4-15(14-25)12-20(18)26-23(21)24/h4-7,12-13,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37.4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay				Bioorg Med Chem Lett 21: 3788-93 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.04.020 BindingDB Entry DOI: 10.7270/Q2Q81DF2
					More data for this Ligand-Target Pair