Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50126744'   

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))	BDBM50126744 (2-(2,6-Dichloro-phenylamino)-4-[(4-methoxy-benzyla...) Show SMILES COc1ccc(CNCc2cc3c(C)c(C)[nH]c(=O)c3c3n(C)c(Nc4c(Cl)cccc4Cl)nc23)cc1 Show InChI InChI=1S/C28H27Cl2N5O2/c1-15-16(2)32-27(36)23-20(15)12-18(14-31-13-17-8-10-19(37-4)11-9-17)24-26(23)35(3)28(33-24)34-25-21(29)6-5-7-22(25)30/h5-12,31H,13-14H2,1-4H3,(H,32,36)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase				J Med Chem 46: 1337-49 (2003) Article DOI: 10.1021/jm020446l BindingDB Entry DOI: 10.7270/Q2DN44FW
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