| Reaction Details |
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 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
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| Ligand | BDBM50108878 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_47066 (CHEMBL661107) |
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| IC50 | 3.7±n/a nM |
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| Citation |  Learmonth, DA; Vieira-Coelho, MA; Benes, J; Alves, PC; Borges, N; Freitas, AP; da-Silva, PS Synthesis of 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl-ethanone and derivatives as potent and long-acting peripheral inhibitors of catechol-O-methyltransferase. J Med Chem45:685-95 (2002) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Catechol O-methyltransferase |
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| Name: | Catechol O-methyltransferase |
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| Synonyms: | COMT_RAT | Catechol O-methyltransferase | Catechol-O-methyltransferase | Comt |
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| Type: | Enzyme |
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| Mol. Mass.: | 29594.09 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | n/a |
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| Residue: | 264 |
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| Sequence: | MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNA
KPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMA
RLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDM
VFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSY
LEYMKVVDGLEKAIYQGPSSPDKS
|
|
|
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| BDBM50108878 |
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| n/a |
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| Name | BDBM50108878 |
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| Synonyms: | 1-(3,4-Dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone | 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone | CHEMBL160038 | NEBICAPONE |
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| Type | Small organic molecule |
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| Emp. Form. | C14H11NO5 |
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| Mol. Mass. | 273.2408 |
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| SMILES | Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)Cc1ccccc1 |
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| Structure | 
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