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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50244186 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1673166 (CHEMBL4023195) | ||
| Ki | 21±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 | ||
| Induced myeloid leukemia cell differentiation protein Mcl-1 | |||
| Name: | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Synonyms: | BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT | ||
| Type: | Membrane; Single-pass membrane protein | ||
| Mol. Mass.: | 37332.87 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q07820 | ||
| Residue: | 350 | ||
| Sequence: |
| ||
| BDBM50244186 | |||
| n/a | |||
| Name | BDBM50244186 | ||
| Synonyms: | CHEMBL4063120 | US10533010, Example I-82 | US11208415, Example I-82 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H35ClN4O4 | ||
| Mol. Mass. | 599.119 | ||
| SMILES | Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(cc1)C(O)=O |(9.46,-44.01,;7.99,-43.54,;7.51,-42.08,;5.97,-42.08,;5.06,-40.84,;5.5,-43.55,;4.03,-44.03,;6.75,-44.45,;6.75,-46,;5.43,-46.77,;5.42,-48.31,;6.76,-49.08,;8.09,-48.31,;9.57,-48.79,;10.04,-50.26,;11.55,-50.58,;12.03,-52.04,;13.53,-52.36,;14.01,-53.82,;15.51,-54.14,;15.99,-55.6,;17.5,-55.91,;14.96,-56.75,;15.44,-58.21,;13.45,-56.43,;12.42,-57.57,;12.97,-54.96,;10.48,-47.54,;9.57,-46.28,;8.09,-46.76,;12.02,-47.53,;12.79,-48.87,;12.79,-46.2,;14.33,-46.2,;15.1,-44.87,;16.63,-44.87,;17.4,-43.54,;16.63,-42.2,;15.09,-42.21,;14.32,-43.54,;17.4,-40.87,;16.63,-39.54,;18.94,-40.87,)| | ||
| Structure | 
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