Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50020440'   

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))	BDBM50020440 (CHEMBL3290116) Show SMILES CCNc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C22H20F3N5O2/c1-3-26-21-27-11-17(12-28-21)30-20(32)18-10-16(8-7-13(18)2)29-19(31)14-5-4-6-15(9-14)22(23,24)25/h4-12H,3H2,1-2H3,(H,29,31)(H,30,32)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of Lck (unknown origin) after 1 hr by HTRF assay				J Med Chem 57: 5112-28 (2014) Article DOI: 10.1021/jm4017762 BindingDB Entry DOI: 10.7270/Q2NK3GKX
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