Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50374609'   

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))	BDBM50374609 (CHEMBL270777) Show SMILES COc1cc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc(OC)c1OC |(-10.47,-11.17,;-9.13,-11.93,;-7.8,-11.16,;-6.47,-11.93,;-5.15,-11.16,;-3.81,-11.93,;-2.48,-11.16,;-2.48,-9.62,;-1.15,-8.85,;.19,-9.61,;.19,-11.16,;-1.15,-11.93,;1.53,-11.93,;2.86,-11.16,;4,-12.19,;3.37,-13.6,;3.99,-15,;3.09,-16.23,;1.55,-16.07,;.94,-14.66,;1.85,-13.43,;2.86,-9.61,;4.2,-8.84,;4.19,-7.31,;2.86,-6.54,;5.52,-6.54,;6.86,-7.31,;6.86,-8.85,;5.53,-9.62,;5.52,-11.16,;1.52,-8.83,;1.52,-7.29,;-5.13,-9.62,;-6.46,-8.84,;-6.46,-7.3,;-5.13,-6.54,;-7.8,-9.61,;-9.13,-8.84,;-10.47,-9.61,)| Show InChI InChI=1S/C29H26N6O4/c1-16-9-8-10-17(2)24(16)35-27(36)19-15-30-28(31-18-13-22(37-3)25(39-5)23(14-18)38-4)33-26(19)34-21-12-7-6-11-20(21)32-29(34)35/h6-15H,1-5H3,(H,30,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
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