| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50316513 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_631011 (CHEMBL1110982) |
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| IC50 | 6000±n/a nM |
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| Citation |  Yan, L; Huo, P; Debenham, JS; Madsen-Duggan, CB; Lao, J; Chen, RZ; Xiao, JC; Shen, CP; Stribling, DS; Shearman, LP; Strack, AM; Tsou, N; Ball, RG; Wang, J; Tong, X; Bateman, TJ; Reddy, VB; Fong, TM; Hale, JJ Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. J Med Chem53:4028-37 (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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| BDBM50316513 |
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| n/a |
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| Name | BDBM50316513 |
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| Synonyms: | CHEMBL1096182 | N-((4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide |
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| Type | Small organic molecule |
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| Emp. Form. | C27H23Cl3N4O2 |
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| Mol. Mass. | 541.856 |
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| SMILES | Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| |
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| Structure | 
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