Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T00442 | Target Info | |||
| Target Name | HUMAN catechol-O-methyl-transferase (COMT) | ||||
| Synonyms |
S-COMT; MB-COMT; Catechol-O-methyltransferase; COMT
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| Gene Name | COMT | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Non Binders of This Target (in total, 7 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
METHYLTHIOADENOSINE
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Terminated | Compound Info | ||
| Synonyms |
5'-Deoxy-5'-methylthioadenosine; 2457-80-9; Methylthioadenosine; 5'-S-methyl-5'-thioadenosine; 5'-Deoxy-5'-(methylthio)adenosine; 5'-DEOXY-5'-METHYLTHIOADENOSINE; (2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-((methylthio)methyl)tetrahydrofuran-3,4-diol; Thiomethyladenosine; Vitamin L2; ADENOSINE, 5'-S-METHYL-5'-THIO-; 5'-S-Methylthioadenosine; MTA; S-methyl-5'-thioadenosine; Vitamin L(sub 2); UNII-634Z2VK3UQ; 5'-Deoxy(methylthio)adenosine; 5'-Deoxy-5'-Methylthioadenosine
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| Activity |
Ki > 5400000 nM
|
[1] | |||
| Compound Name |
3-[2-Methyl-4-(Trifluoromethyl)-1,3-Thiazol-5-Yl]-1H-1,2,4-Triazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289429; Bionet2_000206; KS-00003FIT; HMS1364J08; ZINC2557485; BDBM50019330; MFCD00202352; AKOS015993707; MCULE-8698851287; 9F-007; 2-Methyl-5-(1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)thiazole; 3-[2-Methyl-4-(trifluoromethyl)thiazole-5-yl]-1H-1,2,4-triazole
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| Activity |
Ki = 251000 nM
|
[2] | |||
| Compound Name |
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[2-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2-methoxyphenyl]ethyl]-methylsulfanium;iodide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL553016
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| Activity |
Ki = 500000 nM
|
[1] | |||
| Compound Name |
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methyl-(2-phenylethyl)sulfanium;iodide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL539878
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| Activity |
Ki = 800000 nM
|
[1] | |||
| Compound Name |
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[2-(2-methoxyphenyl)ethyl]-methylsulfanium;iodide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL557014
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| Activity |
Ki = 800000 nM
|
[1] | |||
| Compound Name |
(3-Amino-3-carboxypropyl)-[2-(2-methoxyphenyl)ethyl]-methylsulfanium;iodide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL553200
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| Activity |
Ki = 5800000 nM
|
[1] | |||
| Compound Name |
5'-(Dimethylsulfonio)-5'-deoxyadenosine iodide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL540135
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| Activity |
Ki = 6000000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Synthesis and evaluation of some stable multisubstrate adducts as inhibitors of catechol O-methyltransferase. J Med Chem. 1981 Nov;24(11):1271-7. | ||||
| REF 2 | A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT). J Med Chem. 2014 Jun 26;57(12):5459-63. | ||||
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