| Reaction Details |
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 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
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| Ligand | BDBM50086215 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1477936 (CHEMBL3429503) |
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| IC50 | 170±n/a nM |
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| Citation |  Harrison, ST; Poslusney, MS; Mulhearn, JJ; Zhao, Z; Kett, NR; Schubert, JW; Melamed, JY; Allison, TJ; Patel, SB; Sanders, JM; Sharma, S; Smith, RF; Hall, DL; Robinson, RG; Sachs, NA; Hutson, PH; Wolkenberg, SE; Barrow, JC Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). ACS Med Chem Lett6:318-23 (2015) [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 | COMT_HUMAN | Catechol O-methyltransferase | Catechol O-methyltransferase (MB-COMT) |
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| Type: | Enzyme |
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| Mol. Mass.: | 30030.67 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P21964 |
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| Residue: | 271 |
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| Sequence: | MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRIL
NHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCG
YSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKY
DVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFE
CTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
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| BDBM50086215 |
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| n/a |
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| Name | BDBM50086215 |
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| Synonyms: | CHEMBL3425743 | US9260413, Example 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14N2O2 |
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| Mol. Mass. | 278.3053 |
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| SMILES | Cn1c(ncc(O)c1=O)-c1cccc(c1)-c1ccccc1 |
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| Structure | 
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