Reaction Details | |||
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Target | Apoptosis regulator Bcl-2 | ||
Ligand | BDBM50244144 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1673175 (CHEMBL4023204) | ||
Ki | 550±n/a nM | ||
Citation | Shaw, S; Bian, Z; Zhao, B; Tarr, JC; Veerasamy, N; Jeon, KO; Belmar, J; Arnold, AL; Fogarty, SA; Perry, E; Sensintaffar, JL; Camper, DV; Rossanese, OW; Lee, T; Olejniczak, ET; Fesik, SW Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem61:2410-2421 (2018) [PubMed] Article | ||
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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BDBM50244144 | |||
n/a | |||
Name | BDBM50244144 | ||
Synonyms: | CHEMBL4063862 | US10533010, Example I-363 | US11208415, Example I-363 | ||
Type | Small organic molecule | ||
Emp. Form. | C37H36Cl2N4O6 | ||
Mol. Mass. | 703.611 | ||
SMILES | Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2OCOc12)C(O)=O |(71.14,-5.68,;69.67,-5.21,;69.19,-3.75,;67.65,-3.75,;66.74,-2.51,;67.18,-5.22,;65.72,-5.7,;68.43,-6.12,;68.44,-7.67,;67.11,-8.44,;65.78,-7.67,;67.11,-9.98,;68.44,-10.75,;69.77,-9.98,;71.25,-10.46,;71.73,-11.93,;73.23,-12.25,;73.71,-13.71,;75.22,-14.03,;75.69,-15.49,;77.19,-15.81,;77.67,-17.27,;79.18,-17.58,;76.64,-18.42,;77.12,-19.88,;75.13,-18.1,;74.1,-19.24,;74.66,-16.64,;72.16,-9.2,;73.72,-9.27,;74.33,-10.68,;74.74,-8.09,;74.45,-6.56,;73.08,-5.83,;71.66,-6.45,;71.25,-7.95,;69.77,-8.43,;76.22,-8.49,;77.3,-7.4,;78.78,-7.8,;79.19,-9.29,;78.1,-10.37,;78.19,-11.91,;76.75,-12.47,;75.78,-11.27,;76.61,-9.98,;79.87,-6.71,;79.47,-5.22,;81.36,-7.1,)| | ||
Structure |