Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50301606'   

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))	BDBM50301606 ((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...) Show SMILES CCCCCCN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C34H40N8O/c1-3-4-5-10-20-40-21-22-41(34(43)38-28-16-11-13-26-12-6-7-14-27(26)28)23-31(40)25(2)37-33-35-19-18-32(39-33)42-24-36-29-15-8-9-17-30(29)42/h6-9,11-19,24-25,31H,3-5,10,20-23H2,1-2H3,(H,38,43)(H,35,37,39)/t25-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Lck				Bioorg Med Chem Lett 19: 5440-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.102 BindingDB Entry DOI: 10.7270/Q2GX4BM0
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