Calculated Values
MW: 923.45 Hbond donors: 3 Hbond acceptors: 15 cLogP: 5.77 TPSA: 204.67 SMILES: show Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2 Linker type: PEG Incubation time (hours): 0.5,1,2,4,7,24 Cells: Namalwa, CA-46, Ramos IC50: < 90 nM DC50: < 1 nM Dmax: ~ 100 % Off-targets reported?: No Comments: tested also biological effects - proliferation and caspase activity on BL cells. IC50 of ligand is 14 nM (BD1), 3.5 nM (BD2). IC50 of PROTAC is 90 nM (BD1), 28 nM (BD2). Contributed by: Adi Rogel |