Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50204592'   

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))	BDBM50204592 (6-(3-methoxy-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5...) Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C32H40N6O3/c1-39-27-22-25(10-11-26(27)40-21-20-37-15-6-3-7-16-37)30-28(24-8-4-2-5-9-24)29-31(35-23-36-32(29)41-30)34-14-19-38-17-12-33-13-18-38/h2,4-5,8-11,22-23,33H,3,6-7,12-21H2,1H3,(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck				Bioorg Med Chem Lett 17: 2305-9 (2007) Article DOI: 10.1016/j.bmcl.2007.01.057 BindingDB Entry DOI: 10.7270/Q2697365
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