| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C8 |
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| Ligand | BDBM50112346 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1513208 (CHEMBL3610820) |
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| IC50 | >20000±n/a nM |
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| Citation |  Zhang, Y; Seigal, BA; Terrett, NK; Talbott, RL; Fargnoli, J; Naglich, JG; Chaudhry, C; Posy, SL; Vuppugalla, R; Cornelius, G; Lei, M; Wang, C; Zhang, Y; Schmidt, RJ; Wei, DD; Miller, MM; Allen, MP; Li, L; Carter, PH; Vite, GD; Borzilleri, RM Dimeric Macrocyclic Antagonists of Inhibitor of Apoptosis Proteins for the Treatment of Cancer. ACS Med Chem Lett6:770-5 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C8 |
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| Name: | Cytochrome P450 2C8 |
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| Synonyms: | CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase |
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| Type: | Protein |
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| Mol. Mass.: | 55839.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10632 |
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| Residue: | 490 |
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| Sequence: | MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKV
YGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRW
KEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICS
VVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALT
RSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTE
TTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSD
LVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFK
KSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLP
PSYQICFIPV
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| BDBM50112346 |
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| n/a |
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| Name | BDBM50112346 |
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| Synonyms: | CHEMBL3609325 |
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| Type | Small organic molecule |
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| Emp. Form. | C83H106N14O14S |
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| Mol. Mass. | 1555.88 |
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| SMILES | [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1 |r| |
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| Structure | 
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