Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50190528 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_821183 (CHEMBL2039725) |
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IC50 | 66000±n/a nM |
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Citation | Borthwick, AD; Liddle, J; Davies, DE; Exall, AM; Hamlett, C; Hickey, DM; Mason, AM; Smith, IE; Nerozzi, F; Peace, S; Pollard, D; Sollis, SL; Allen, MJ; Woollard, PM; Pullen, MA; Westfall, TD; Stanislaus, DJ Pyridyl-2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists: synthesis, pharmacokinetics, and in vivo potency. J Med Chem55:783-96 (2012) [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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BDBM50190528 |
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n/a |
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Name | BDBM50190528 |
Synonyms: | (2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N,N-dimethylethanamide | CHEMBL377414 |
Type | Small organic molecule |
Emp. Form. | C27H31F2N3O3 |
Mol. Mass. | 483.5501 |
SMILES | CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |
Structure |
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