| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C8 |
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| Ligand | BDBM50557804 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2060126 (CHEMBL4715127) |
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| IC50 | >20000±n/a nM |
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| Citation |  Liu, Q; Xiao, HY; Batt, DG; Xiao, Z; Zhu, Y; Yang, MG; Li, N; Yip, S; Li, P; Sun, D; Wu, DR; Ruzanov, M; Sack, JS; Weigelt, CA; Wang, J; Li, S; Shuster, DJ; Xie, JH; Song, Y; Sherry, T; Obermeier, MT; Fura, A; Stefanski, K; Cornelius, G; Chacko, S; Khandelwal, P; Dudhgaonkar, S; Rudra, A; Nagar, J; Murali, V; Govindarajan, A; Denton, R; Zhao, Q; Meanwell, NA; Borzilleri, R; Dhar, TGM Azatricyclic Inverse Agonists of ROR?t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. ACS Med Chem Lett12:827-835 (2021) [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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| BDBM50557804 |
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| n/a |
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| Name | BDBM50557804 |
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| Synonyms: | CHEMBL4793083 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H24F8N4O4S |
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| Mol. Mass. | 664.567 |
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| SMILES | [H][C@@]12CCc3cc(cnc3[C@@]1(CCN2C(=O)[C@@H]1CCC(=O)N1CCC#N)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| |
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| Structure | 
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