| Reaction Details |
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 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
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| Ligand | BDBM50108879 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_47067 (CHEMBL661108) |
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| IC50 | 2320000±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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| BDBM50108879 |
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| n/a |
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| Name | BDBM50108879 |
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| Synonyms: | (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide | (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide | CHEMBL953 | Comtess | ENTACAPONE | N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide |
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| Type | Small organic molecule |
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| Emp. Form. | C14H15N3O5 |
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| Mol. Mass. | 305.286 |
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| SMILES | CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N |
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| Structure | 
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