Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor [C1156Y]' and Ligand = 'BDBM179800'   

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 [C1156Y] (Homo sapiens (Human))	BDBM179800 (3-((2,6-dichloro-3-fluorophenyl)sulfide)-5-(1-(pip...) Show SMILES Fc1ccc(Cl)c(c1Cl)S(=O)c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C21H18Cl2FN5OS/c22-16-1-2-17(24)19(23)20(16)31(30)18-10-27-21-15(18)7-12(8-26-21)13-9-28-29(11-13)14-3-5-25-6-4-14/h1-2,7-11,14,25H,3-6H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	7.5	25
Tianjin University of Science and Technology					Assay Description The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H...				Bioorg Chem 65: 146-58 (2016) Article DOI: 10.1016/j.bioorg.2016.02.009 BindingDB Entry DOI: 10.7270/Q2VT1QVX
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