Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte tyrosine kinase receptor' and Ligand = 'BDBM50448449'   

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
Leukocyte tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448449 (CHEMBL3125667) Show SMILES NS(=O)(=O)OCCn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12 Show InChI InChI=1S/C26H30FN7O3S/c27-21-10-12-22(13-11-21)31-24-23-25(34(17-30-23)14-15-37-38(28,35)36)33-26(32-24)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h6-13,17,19H,1-5,14-16H2,(H2,28,35,36)(H2,29,31,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of TYK1 (unknown origin) after 20 mins				Bioorg Med Chem 21: 5618-28 (2013) Article DOI: 10.1016/j.bmc.2013.04.080 BindingDB Entry DOI: 10.7270/Q2125V53
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