| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50296779 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_582509 (CHEMBL1060842) |
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| IC50 | 700±n/a nM |
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| Citation |  Nordhoff, S; López-Canet, M; Hoffmann-Enger, B; Bulat, S; Cerezo-Gálvez, S; Hill, O; Rosenbaum, C; Rummey, C; Thiemann, M; Matassa, VG; Edwards, PJ; Feurer, A From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett19:4818-23 (2009) [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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| BDBM50296779 |
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| n/a |
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| Name | BDBM50296779 |
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| Synonyms: | 2-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methylamino)nicotinonitrile | CHEMBL562072 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22F3N5O |
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| Mol. Mass. | 417.4275 |
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| SMILES | N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccc1C#N)Cc1cc(F)c(F)cc1F |r| |
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| Structure | 
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