Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor [C1156Y]' and Ligand = 'BDBM179803'   

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))	BDBM179803 (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) Show SMILES CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	133	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
					More data for this Ligand-Target Pair				3D Structure (crystal)