Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50374619'   

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))	BDBM50374619 (CHEMBL406804) Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCOCC1 |(-1.93,5.11,;-3.27,4.34,;-3.27,2.8,;-1.94,2.03,;-1.95,.49,;-.62,-.29,;.71,.48,;.72,2.03,;2.04,2.8,;3.38,2.04,;3.38,.49,;2.04,-.29,;4.72,-.28,;5.04,-1.78,;4.13,-3.02,;4.74,-4.42,;6.28,-4.59,;7.18,-3.35,;6.56,-1.95,;7.19,-.55,;6.05,.48,;6.06,2.03,;7.39,2.8,;7.39,4.34,;6.05,5.1,;8.71,5.11,;10.06,4.33,;10.05,2.79,;8.72,2.03,;8.71,.49,;4.71,2.81,;4.71,4.35,;-3.27,-.28,;-4.61,.48,;-5.94,-.29,;-7.27,.48,;-4.61,2.03,;-5.94,2.8,;-7.28,2.03,;-8.61,2.8,;-8.62,4.35,;-7.29,5.12,;-7.3,6.65,;-8.63,7.42,;-9.96,6.64,;-9.95,5.1,)| Show InChI InChI=1S/C34H35N7O5/c1-21-8-7-9-22(2)29(21)41-32(42)24-20-35-33(38-31(24)40-26-11-6-5-10-25(26)37-34(40)41)36-23-18-27(43-3)30(28(19-23)44-4)46-17-14-39-12-15-45-16-13-39/h5-11,18-20H,12-17H2,1-4H3,(H,35,36,38)	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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