| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
|---|
| Ligand | BDBM50108879 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1929004 (CHEMBL4432180) |
|---|
| IC50 | 34±n/a nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Catechol O-methyltransferase |
|---|
| Name: | Catechol O-methyltransferase |
|---|
| Synonyms: | COMT_RAT | Catechol O-methyltransferase | Catechol-O-methyltransferase | Comt |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 29594.09 |
|---|
| Organism: | Rattus norvegicus (Rat) |
|---|
| Description: | n/a |
|---|
| Residue: | 264 |
|---|
| Sequence: | MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNA
KPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMA
RLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDM
VFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSY
LEYMKVVDGLEKAIYQGPSSPDKS
|
|
|
|---|
| BDBM50108879 |
|---|
| n/a |
|---|
| Name | BDBM50108879 |
|---|
| Synonyms: | (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide | (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide | CHEMBL953 | Comtess | ENTACAPONE | N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C14H15N3O5 |
|---|
| Mol. Mass. | 305.286 |
|---|
| SMILES | CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N |
|---|
| Structure | 
|
|---|
Search and Browse
