Reaction Details | |||
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Target | Apoptosis regulator Bcl-2 | ||
Ligand | BDBM189786 | ||
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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BDBM189786 | |||
n/a | |||
Name | BDBM189786 | ||
Synonyms: | US11369599, Compound 359 | US9174982, 358 | ||
Type | Small organic molecule | ||
Emp. Form. | C48H56ClN7O7S | ||
Mol. Mass. | 910.519 | ||
SMILES | CCC1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:49,(-12.08,6.12,;-10.77,6.93,;-9.41,6.21,;-10.77,5.49,;-8.64,4.88,;-7.1,4.88,;-6.33,6.21,;-4.79,6.21,;-4.02,7.55,;-2.48,7.55,;-1.71,6.21,;-.17,6.21,;.6,7.55,;-.17,8.88,;-1.71,8.88,;-2.48,10.21,;-1.71,11.55,;-4.02,10.21,;2.14,7.55,;2.14,9.09,;3.68,7.55,;2.14,6.01,;3.47,5.24,;4.81,6.01,;3.47,3.7,;4.81,2.93,;4.81,1.39,;3.47,.62,;2.14,1.39,;2.14,2.93,;.81,3.7,;-.53,2.93,;-.53,1.39,;-1.86,.62,;-3.19,1.39,;-4.66,.91,;-5.56,2.16,;-4.66,3.4,;-3.19,2.93,;-1.86,3.7,;3.47,-.92,;4.81,-1.69,;4.81,-3.23,;3.47,-4,;3.47,-5.54,;4.81,-6.31,;4.81,-7.85,;6.14,-8.62,;7.48,-7.85,;8.29,-9.16,;9.01,-7.91,;7.48,-6.31,;6.14,-5.54,;3.47,-8.62,;3.47,-10.16,;2.14,-10.93,;.81,-10.16,;-.53,-10.93,;.81,-8.62,;2.14,-7.85,;2.14,-3.23,;2.14,-1.69,;-7.1,7.55,;-8.64,7.55,)| | ||
Structure |