Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50319822 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_634880 (CHEMBL1120512) |
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IC50 | 17700±n/a nM |
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Citation | Fray, MJ; Fish, PV; Allan, GA; Bish, G; Clarke, N; Eccles, R; Harrison, AC; Le Net, JL; Phillips, SC; Regan, N; Sobry, C; Stobie, A; Wakenhut, F; Westbrook, D; Westbrook, SL; Whitlock, GA Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. Bioorg Med Chem Lett20:3788-92 (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 |
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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BDBM50319822 |
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n/a |
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Name | BDBM50319822 |
Synonyms: | 1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)piperazine | CHEMBL1085959 |
Type | Small organic molecule |
Emp. Form. | C19H23FN2O |
Mol. Mass. | 314.3971 |
SMILES | COc1ccccc1CC(N1CCNCC1)c1ccccc1F |
Structure |
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