Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50516837
Substrate
n/a
Meas. Tech.
ChEMBL_1867006 (CHEMBL4367981)
IC50
163±n/a nM
Citation
 Zhang, C; Yang, K; Yu, S; Su, J; Yuan, S; Han, J; Chen, Y; Gu, J; Zhou, T; Bai, R; Xie, Y Design, synthesis and biological evaluation of hydroxypyridinone-coumarin hybrids as multimodal monoamine oxidase B inhibitors and iron chelates against Alzheimer's disease. Eur J Med Chem 180:367-382 (2019) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_HUMAN | MAO-B | MAOB | Monoamine oxidase type B | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAOB)
Type:
Protein
Mol. Mass.:
58768.76
Organism:
Homo sapiens (Human)
Description:
P27338
Residue:
520
Sequence:
MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV
  
Inhibitor
Name:
BDBM50516837
Synonyms:
CHEMBL4451228
Type:
Small organic molecule
Emp. Form.:
C24H20FNO5
Mol. Mass.:
421.4177
SMILES:
CCc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
Structure:
Search PDB for entries with ligand similarity: