Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50131142'   

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))	BDBM50131142 (2-[2-(2-Hydroxy-ethylamino)-pyrimidin-4-ylamino]-b...) Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccnc(NCCO)n3)sc2c1 Show InChI InChI=1S/C21H19ClN6O2S/c1-12-3-2-4-14(22)18(12)28-19(30)13-5-6-15-16(11-13)31-21(25-15)27-17-7-8-23-20(26-17)24-9-10-29/h2-8,11,29H,9-10H2,1H3,(H,28,30)(H2,23,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	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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