| Reaction Details |
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 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
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| Ligand | BDBM4375 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1929005 (CHEMBL4432181) |
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| IC50 | 93±n/a nM |
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| Citation |  Silva, T; Mohamed, T; Shakeri, A; Rao, PP; Martínez-González, L; Pérez, DI; Martínez, A; Valente, MJ; Garrido, J; Uriarte, E; Serrão, P; Soares-da-Silva, P; Remião, F; Borges, F Development of Blood-Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity. J Med Chem59:7584-97 (2016) [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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| BDBM4375 |
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| n/a |
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| Name | BDBM4375 |
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| Synonyms: | (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9) | 3,4-Dihydroxycinnamate, XVII | CHEMBL145 | Caffeic acid | Caffeic acid, 1 | cid_689043 |
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| Type | Small organic molecule |
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| Emp. Form. | C9H8O4 |
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| Mol. Mass. | 180.1574 |
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| SMILES | OC(=O)\C=C\c1ccc(O)c(O)c1 |
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| Structure | 
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