Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50112976'   

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))	BDBM50112976 (CHEMBL416938 | Phosphoric acid mono-{4-[(S)-2-acet...) Show SMILES CCCNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C24H34N5O9P/c1-3-12-25-23(33)20-5-4-13-28-21(31)11-10-18(24(34)29(20)28)27-22(32)19(26-15(2)30)14-16-6-8-17(9-7-16)38-39(35,36)37/h6-9,18-20H,3-5,10-14H2,1-2H3,(H,25,33)(H,26,30)(H,27,32)(H2,35,36,37)/t18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Products Limited Curated by ChEMBL					Assay Description Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA)				Bioorg Med Chem Lett 12: 1365-9 (2002) BindingDB Entry DOI: 10.7270/Q20002MH
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