Reaction Details | |||
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Target | Apoptosis regulator Bcl-2 | ||
Ligand | BDBM189772 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay | ||
Temperature | 298.15±n/a K | ||
Ki | <0.01±n/a nM | ||
Comments | extracted | ||
Citation | Bruncko, M; Ding, H; Doherty, GA; Elmore, SW; Hasvold, LA; Hexamer, L; Kunzer, AR; Song, X; Souers, AJ; Sullivan, GM; Tao, Z; Wang, GT; Wang, L; Wang, X; Wendt, MD; Mantei, RA; Hansen, TM Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases US Patent US9174982 Publication Date 11/3/2015 | ||
More Info.: | Get all data from this article, Assay Method | ||
Apoptosis regulator Bcl-2 | |||
Name: | Apoptosis regulator Bcl-2 | ||
Synonyms: | Apoptosis regulator Bcl-2 Protein | B-cell lymphoma 2 protein (Bcl-2) | BCL-2 | BCL2 | BCL2_HUMAN | Bcl-2 Protein | ||
Type: | Homodimer or heterodimer | ||
Mol. Mass.: | 26269.11 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P10415 | ||
Residue: | 239 | ||
Sequence: |
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BDBM189772 | |||
n/a | |||
Name | BDBM189772 | ||
Synonyms: | US11369599, Compound 352 | US9174982, 344 | US9174982, 352 | ||
Type | Small organic molecule | ||
Emp. Form. | C47H53ClN6O8S | ||
Mol. Mass. | 897.477 | ||
SMILES | CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(8.08,-9.06,;7.26,-7.76,;8.8,-7.81,;7.26,-6.22,;5.93,-5.45,;4.59,-6.22,;3.26,-5.45,;3.26,-3.91,;4.59,-3.14,;4.59,-1.6,;3.26,-.83,;1.92,-1.6,;1.92,-3.14,;3.26,.71,;4.59,1.48,;4.59,3.02,;3.26,3.79,;3.26,5.33,;4.59,6.1,;1.92,6.1,;1.92,7.64,;1.92,9.18,;3.46,7.64,;.38,7.64,;-.39,6.31,;-1.93,6.31,;-2.7,7.64,;-4.24,7.64,;-5.01,6.31,;-6.55,6.31,;-7.32,4.97,;-8.86,4.97,;-9.63,6.31,;-10.99,5.59,;-10.99,7.03,;-8.86,7.64,;-7.32,7.64,;-1.93,8.98,;-.39,8.98,;-2.7,10.31,;-1.93,11.64,;-4.24,10.31,;1.92,3.02,;.59,3.79,;-.74,3.02,;-.74,1.48,;-2.08,.71,;-3.41,1.48,;-4.87,1.01,;-5.78,2.25,;-4.87,3.5,;-3.41,3.02,;-2.08,3.79,;1.92,1.48,;4.59,-7.76,;5.93,-8.53,;3.26,-8.53,;3.26,-10.07,;1.92,-10.84,;.59,-10.07,;-.74,-10.84,;.59,-8.53,;1.92,-7.76,)| | ||
Structure |