| Reaction Details |
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 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
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| Ligand | BDBM50017868 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_47065 |
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| IC50 | 400±n/a nM |
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| Citation |  Bäckström, R; Honkanen, E; Pippuri, A; Kairisalo, P; Pystynen, J; Heinola, K; Nissinen, E; Linden, IB; Männistö, PT; Kaakkola, S Synthesis of some novel potent and selective catechol O-methyltransferase inhibitors. J Med Chem32:841-6 (1989) [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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| BDBM50017868 |
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| n/a |
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| Name | BDBM50017868 |
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| Synonyms: | CHEMBL168451 | N-Adamantan-1-yl-3-chloro-4,5-dihydroxy-benzamide |
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| Type | Small organic molecule |
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| Emp. Form. | C17H20ClNO3 |
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| Mol. Mass. | 321.799 |
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| SMILES | Oc1cc(cc(Cl)c1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:12:19:16.15.17,THB:13:12:14.15.19:17,13:14:12.20.21:17,21:16:12.13.20:19| |
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| Structure | 
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