| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50304958 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_606891 (CHEMBL1072634) |
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| IC50 | 16000±n/a nM |
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| Citation |  Kallander, LS; Washburn, DG; Hoang, TH; Frazee, JS; Stoy, P; Johnson, L; Lu, Q; Hammond, M; Barton, LS; Patterson, JR; Azzarano, LM; Nagilla, R; Madauss, KP; Williams, SP; Stewart, EL; Duraiswami, C; Grygielko, ET; Xu, X; Laping, NJ; Bray, JD; Thompson, SK Improving the developability profile of pyrrolidine progesterone receptor partial agonists. Bioorg Med Chem Lett20:371-4 (2010) [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 |
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| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
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| Type: | Protein |
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| Mol. Mass.: | 55774.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10635 |
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| Residue: | 497 |
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| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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| BDBM50304958 |
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| n/a |
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| Name | BDBM50304958 |
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| Synonyms: | (S)-2-chloro-4-((5-fluoro-2-methylbenzyl)(1-propionylpyrrolidin-3-yl)amino)benzonitrile | CHEMBL590100 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H23ClFN3O |
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| Mol. Mass. | 399.889 |
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| SMILES | CCC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r| |
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| Structure | 
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