Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50186557'   

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50186557 (1-(6-(4-(2-(diethylamino)ethoxy)phenylamino)pyrimi...) Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1 Show InChI InChI=1S/C33H36F3N7O3/c1-5-43(6-2)16-17-46-27-14-12-25(13-15-27)39-29-20-30(38-21-37-29)42(4)32(45)41-28-19-26(11-10-22(28)3)40-31(44)23-8-7-9-24(18-23)33(34,35)36/h7-15,18-21H,5-6,16-17H2,1-4H3,(H,40,44)(H,41,45)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lck				Bioorg Med Chem Lett 16: 3646-50 (2006) Article DOI: 10.1016/j.bmcl.2006.04.072 BindingDB Entry DOI: 10.7270/Q2GF0T45
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