| Reaction Details |
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 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
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| Ligand | BDBM50178791 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_325428 (CHEMBL858658) |
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| IC50 | 4000±n/a nM |
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| Citation |  Learmonth, DA; Bonifácio, MJ; Soares-da-Silva, P Synthesis and biological evaluation of a novel series of"ortho-nitrated" inhibitors of catechol-O-methyltransferase. J Med Chem48:8070-8 (2005) [PubMed] Article |
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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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| BDBM50178791 |
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| n/a |
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| Name | BDBM50178791 |
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| Synonyms: | 1-(3,4-dihydroxy-2-nitrophenyl)-3-phenylpropan-1-one | CHEMBL198628 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H13NO5 |
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| Mol. Mass. | 287.2674 |
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| SMILES | Oc1ccc(C(=O)CCc2ccccc2)c(c1O)[N+]([O-])=O |
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| Structure | 
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