Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50428101 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_943937 (CHEMBL2339904) |
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IC50 | >30000±n/a nM |
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Citation | Piotrowski, DW; Futatsugi, K; Warmus, JS; Orr, ST; Freeman-Cook, KD; Londregan, AT; Wei, L; Jennings, SM; Herr, M; Coffey, SB; Jiao, W; Storer, G; Hepworth, D; Wang, J; Lavergne, SY; Chin, JE; Hadcock, JR; Brenner, MB; Wolford, AC; Janssen, AM; Roush, NS; Buxton, J; Hinchey, T; Kalgutkar, AS; Sharma, R; Flynn, DA Identification of Tetrahydropyrido[4,3-d]pyrimidine Amides as a New Class of Orally Bioavailable TGR5 Agonists. ACS Med Chem Lett4:63-8 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2D6 |
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Name: | Cytochrome P450 2D6 |
Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
Type: | Protein |
Mol. Mass.: | 55774.82 |
Organism: | Homo sapiens (Human) |
Description: | P10635 |
Residue: | 497 |
Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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BDBM50428101 |
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n/a |
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Name | BDBM50428101 |
Synonyms: | CHEMBL2331648 |
Type | Small organic molecule |
Emp. Form. | C20H22F3N5O3 |
Mol. Mass. | 437.4156 |
SMILES | CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1 |
Structure |
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