Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM50513329
Substrate
n/a
Meas. Tech.
ChEMBL_1853011 (CHEMBL4353635)
IC50
22020±n/a nM
Citation
 Kumar, B; Kumar, V; Prashar, V; Saini, S; Dwivedi, AR; Bajaj, B; Mehta, D; Parkash, J; Kumar, V Dipropargyl substituted diphenylpyrimidines as dual inhibitors of monoamine oxidase and acetylcholinesterase. Eur J Med Chem 177:221-234 (2019) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] A
Synonyms:
AOFA_HUMAN | Amine oxidase (flavin-containing) A | MAO-A | MAOA | Monoamine oxidase | Monoamine oxidase type A | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAOA)
Type:
Protein
Mol. Mass.:
59689.53
Organism:
Homo sapiens (Human)
Description:
P21397
Residue:
527
Sequence:
MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVDYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRLAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIGFSTSVTALGFVLYKYKLLPRS
  
Inhibitor
Name:
BDBM50513329
Synonyms:
CHEMBL4543829
Type:
Small organic molecule
Emp. Form.:
C28H20N2O2
Mol. Mass.:
416.4706
SMILES:
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C
Structure:
Search PDB for entries with ligand similarity: