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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Induced myeloid leukemia cell differentiation protein Mcl-1 | ||
| Ligand | BDBM50448451 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1297287 (CHEMBL3132073) | ||
| IC50 | 88±n/a nM | ||
| Citation |  Tanaka, Y; Aikawa, K; Nishida, G; Homma, M; Sogabe, S; Igaki, S; Hayano, Y; Sameshima, T; Miyahisa, I; Kawamoto, T; Tawada, M; Imai, Y; Inazuka, M; Cho, N; Imaeda, Y; Ishikawa, T Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins. J Med Chem56:9635-45 (2014) [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: |
| ||
| BDBM50448451 | |||
| n/a | |||
| Name | BDBM50448451 | ||
| Synonyms: | CHEMBL3126120 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C48H48N6O8S2 | ||
| Mol. Mass. | 901.06 | ||
| SMILES | CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1cc(C)c(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r,wU:5.14,(37.04,-56.68,;38.37,-57.46,;38.38,-58.99,;39.71,-56.69,;39.71,-55.15,;41.04,-54.38,;42.38,-55.15,;42.38,-56.69,;43.71,-57.46,;43.7,-59,;45.03,-59.77,;46.37,-59,;46.36,-57.45,;45.03,-56.69,;41.05,-52.84,;39.71,-52.07,;38.38,-52.83,;37.05,-52.06,;37.06,-50.53,;38.38,-49.75,;39.71,-50.52,;41.05,-49.74,;42.39,-50.51,;41.05,-48.2,;35.72,-49.75,;34.18,-49.75,;34.95,-51.08,;35.73,-48.21,;34.39,-47.44,;33.06,-48.21,;34.39,-45.9,;35.73,-45.12,;35.72,-43.59,;37.05,-42.81,;34.39,-42.82,;33.05,-43.59,;31.72,-42.82,;33.05,-45.13,;34.39,-41.29,;33.05,-40.51,;33.06,-38.97,;34.38,-38.2,;35.72,-38.96,;37.2,-38.48,;37.67,-37.02,;36.64,-35.87,;37.12,-34.41,;36.08,-33.27,;36.56,-31.8,;35.53,-30.67,;36,-29.2,;37.51,-28.88,;38.54,-30.02,;40.04,-29.7,;41.06,-30.84,;40.59,-32.31,;39.09,-32.62,;38.06,-31.48,;38.11,-39.74,;37.2,-40.99,;35.72,-40.51,;39.65,-39.74,;40.42,-41.07,;40.42,-38.4,)| | ||
| Structure | 
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