Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50145571'   

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))	BDBM50145571 (1-Methyl-1H-indole-2-carboxylic acid (4-{4-amino-1...) Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:24.26,wD:27.33,(1.55,-1.69,;1.62,-3.24,;3.01,-3.96,;3.06,-5.49,;4.43,-6.21,;5.72,-5.39,;5.67,-3.86,;4.32,-3.13,;4.3,-1.59,;5.62,-.8,;6.97,-1.55,;5.6,.74,;6.72,1.79,;6.09,3.17,;6.72,4.59,;5.81,5.83,;4.29,5.68,;3.66,4.26,;4.56,3.01,;4.25,1.49,;2.85,.85,;4.49,-7.75,;5.72,-8.66,;5.25,-10.12,;6.2,-11.32,;7.73,-11.09,;8.68,-12.27,;8.12,-13.71,;6.6,-13.95,;5.63,-12.74,;9.08,-14.91,;10.61,-14.67,;11.57,-15.87,;11.02,-17.3,;11.97,-18.52,;9.49,-17.54,;8.52,-16.33,;3.72,-10.12,;2.68,-11.25,;1.19,-10.92,;.71,-9.48,;1.73,-8.33,;1.27,-6.86,;3.24,-8.66,)| Show InChI InChI=1S/C33H39N9O2/c1-39-14-16-41(17-15-39)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(38-42)22-8-13-25(28(19-22)44-3)37-33(43)27-18-21-6-4-5-7-26(21)40(27)2/h4-8,13,18-20,23-24H,9-12,14-17H2,1-3H3,(H,37,43)(H2,34,35,36)/t23-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide				Bioorg Med Chem Lett 14: 2613-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.101 BindingDB Entry DOI: 10.7270/Q2M61JQP
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