| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C8 |
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| Ligand | BDBM50183448 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1586832 (CHEMBL3826664) |
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| IC50 | >50000±n/a nM |
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| Citation |  Martin, LJ; Koegl, M; Bader, G; Cockcroft, XL; Fedorov, O; Fiegen, D; Gerstberger, T; Hofmann, MH; Hohmann, AF; Kessler, D; Knapp, S; Knesl, P; Kornigg, S; Müller, S; Nar, H; Rogers, C; Rumpel, K; Schaaf, O; Steurer, S; Tallant, C; Vakoc, CR; Zeeb, M; Zoephel, A; Pearson, M; Boehmelt, G; McConnell, D Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem59:4462-75 (2016) [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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| BDBM50183448 |
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| n/a |
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| Name | BDBM50183448 |
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| Synonyms: | CHEMBL3823478 | US11773085, Compound B2 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H23N3O3 |
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| Mol. Mass. | 353.4149 |
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| SMILES | COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 |
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| Structure | 
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