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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Apoptosis regulator Bcl-2 | ||
| Ligand | BDBM50519042 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1873796 (CHEMBL4375085) | ||
| Ki | 29000±n/a nM | ||
| Citation |  Szlávik, Z; Ondi, L; Csékei, M; Paczal, A; Szabó, ZB; Radics, G; Murray, J; Davidson, J; Chen, I; Davis, B; Hubbard, RE; Pedder, C; Dokurno, P; Surgenor, A; Smith, J; Robertson, A; LeToumelin-Braizat, G; Cauquil, N; Zarka, M; Demarles, D; Perron-Sierra, F; Claperon, A; Colland, F; Geneste, O; Kotschy, A Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J Med Chem62:6913-6924 (2019) [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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| BDBM50519042 | |||
| n/a | |||
| Name | BDBM50519042 | ||
| Synonyms: | CHEMBL4515659 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H22ClN3O2S | ||
| Mol. Mass. | 451.968 | ||
| SMILES | CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(17.11,-30.89,;16.34,-29.56,;14.8,-29.56,;13.9,-30.8,;12.43,-30.33,;11.1,-31.11,;9.76,-30.34,;9.76,-28.79,;11.1,-28.02,;11.09,-26.48,;9.76,-25.71,;9.76,-24.17,;8.42,-23.41,;8.43,-21.86,;7.09,-21.1,;5.76,-21.87,;5.77,-23.42,;7.1,-24.18,;8.43,-26.49,;7.09,-25.72,;8.43,-28.03,;12.43,-28.79,;13.9,-28.31,;14.37,-26.84,;13.34,-25.71,;13.81,-24.25,;15.32,-23.92,;16.35,-25.06,;17.86,-24.73,;15.88,-26.53,;16.91,-27.67,)| | ||
| Structure | 
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