Reaction Details Report a problem with these data
Target
Catechol O-methyltransferase
Ligand
BDBM50086215
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
Temperature
298.15±n/a K
IC50
170±n/a nM
Comments
extracted
Citation
 Wolkenberg, S; Harrison, ST; Barrow, JC; Zhao, Z; Melamed, J; Kett, NR; Zartman, A Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders US Patent  US9260413 Publication Date 2/16/2016 
Target
Name:
Catechol O-methyltransferase
Synonyms:
COMT | COMT_HUMAN | Catechol O-methyltransferase | Catechol O-methyltransferase (MB-COMT)
Type:
Enzyme
Mol. Mass.:
30030.67
Organism:
Homo sapiens (Human)
Description:
P21964
Residue:
271
Sequence:
MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRILNHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFECTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
  
Inhibitor
Name:
BDBM50086215
Synonyms:
CHEMBL3425743 | US9260413, Example 3
Type:
Small organic molecule
Emp. Form.:
C17H14N2O2
Mol. Mass.:
278.3053
SMILES:
Cn1c(ncc(O)c1=O)-c1cccc(c1)-c1ccccc1
Structure:
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