Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50131157'   

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))	BDBM50131157 (2-[4-(4-Methylamino-piperazin-1-ylmethyl)-pyridin-...) Show SMILES CNN1CCN(Cc2ccnc(Nc3nc4ccc(cc4s3)C(=O)Nc3c(C)cccc3Cl)c2)CC1 Show InChI InChI=1S/C26H28ClN7OS/c1-17-4-3-5-20(27)24(17)32-25(35)19-6-7-21-22(15-19)36-26(30-21)31-23-14-18(8-9-29-23)16-33-10-12-34(28-2)13-11-33/h3-9,14-15,28H,10-13,16H2,1-2H3,(H,32,35)(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p56 Lck tyrosine kinase				Bioorg Med Chem Lett 13: 2587-90 (2003) BindingDB Entry DOI: 10.7270/Q2FX78V4
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