Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50374615'   

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))	BDBM50374615 (CHEMBL406661) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cccc2Cl)c3=O)cc1 |(-12.03,-20.12,;-10.7,-20.89,;-9.36,-20.13,;-8.03,-20.9,;-8.04,-22.44,;-9.37,-23.21,;-10.7,-22.44,;-6.71,-23.21,;-5.37,-22.44,;-4.04,-23.21,;-4.05,-24.75,;-2.72,-25.52,;-1.38,-24.76,;-1.38,-23.21,;-.06,-22.44,;1.29,-23.2,;1.28,-24.75,;-.05,-25.53,;2.62,-25.52,;2.94,-27.02,;2.03,-28.26,;2.65,-29.66,;4.18,-29.83,;5.08,-28.59,;4.47,-27.19,;5.1,-25.79,;3.96,-24.75,;3.96,-23.21,;5.29,-22.44,;5.29,-20.9,;3.95,-20.14,;6.62,-20.13,;7.96,-20.91,;7.96,-22.45,;6.62,-23.21,;6.62,-24.75,;2.62,-22.43,;2.62,-20.89,;-5.37,-25.52,;-6.7,-24.76,)| Show InChI InChI=1S/C29H24Cl2N8O/c1-36-13-15-37(16-14-36)19-11-9-18(10-12-19)33-28-32-17-20-26(35-28)38-24-8-3-2-7-23(24)34-29(38)39(27(20)40)25-21(30)5-4-6-22(25)31/h2-12,17H,13-16H2,1H3,(H,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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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