Reaction Details | |||
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Target | Apoptosis regulator Bcl-2 | ||
Ligand | BDBM178868 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay | ||
Ki | <0.010±n/a nM | ||
Citation | Bruncko, M; Ding, H; Doherty, GA; Elmore, SW; Hasvold, L; Hexamer, LA; Kunzer, AR; Mantei, RA; McClellan, WJ; Park, CH; Park, C; Petros, AM; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, GT; Wang, L; Wang, X; Wendt, MD Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases US Patent US9125913 Publication Date 9/8/2015 | ||
More Info.: | Get all data from this article, Assay Method | ||
Apoptosis regulator Bcl-2 | |||
Name: | Apoptosis regulator Bcl-2 | ||
Synonyms: | BCL2_MOUSE | Bcl-2 | Bcl2 | ||
Type: | Protein | ||
Mol. Mass.: | 26409.44 | ||
Organism: | Mus musculus (Mouse) | ||
Description: | P10417 | ||
Residue: | 236 | ||
Sequence: |
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BDBM178868 | |||
n/a | |||
Name | BDBM178868 | ||
Synonyms: | US9125913, 440 | ||
Type | Small organic molecule | ||
Emp. Form. | C47H54ClN7O7S | ||
Mol. Mass. | 896.492 | ||
SMILES | COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48,(-10.74,-10.44,;-9.2,-10.44,;-8.43,-9.1,;-6.89,-9.1,;-6.12,-7.77,;-6.89,-6.44,;-6.12,-5.1,;-6.89,-3.77,;-6.12,-2.44,;-4.58,-2.44,;-3.81,-1.1,;-4.58,.23,;-6.12,.23,;-6.89,-1.1,;-8.43,-1.1,;-9.2,.23,;-9.2,-2.44,;-3.81,1.56,;-5.15,2.33,;-3.04,2.9,;-2.48,.79,;-1.15,1.56,;-1.15,3.1,;.19,.79,;1.52,1.56,;2.86,.79,;2.86,-.75,;1.52,-1.52,;.19,-.75,;-1.15,-1.52,;-1.15,-3.06,;.19,-3.83,;.19,-5.37,;-1.15,-6.14,;-2.48,-5.37,;-3.94,-5.84,;-4.85,-4.6,;-3.94,-3.35,;-2.48,-3.83,;4.19,-1.52,;5.52,-.75,;6.86,-1.52,;6.86,-3.06,;8.19,-3.83,;9.52,-3.06,;10.86,-3.83,;12.19,-3.06,;12.19,-1.52,;13.73,-1.46,;13.01,-.21,;10.86,-.75,;9.52,-1.52,;10.86,-5.37,;12.19,-6.14,;12.19,-7.68,;10.86,-8.45,;10.86,-9.99,;9.52,-7.68,;9.52,-6.14,;5.52,-3.83,;4.19,-3.06,;-8.43,-6.44,;-9.2,-7.77,)| | ||
Structure |