Reaction Details Report a problem with these data
Target
Membrane primary amine oxidase
Ligand
BDBM561958
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.110±n/a nM
Citation
 Gu, Z; Li, J; Li, Z; Wang, W; Qin, H; Wang, X; Liu, J; Zhang, Y Amine compound for inhibiting SSAO/VAP-1 and use thereof US Patent  US11396495 Publication Date 7/26/2022 
Target
Name:
Membrane primary amine oxidase
Synonyms:
AOC3 | AOC3_HUMAN | Amine oxidase, copper containing | Semicarbazide-sensitive amine oxidase (SSAO) | Semicarbazide-sensitive amine oxidase/ Vascular adhesion protein 1 (SSAO/VAP-1) | VAP1 | Vascular adhesion protein 1 (VAP-1)
Type:
Protein
Mol. Mass.:
84620.86
Organism:
Homo sapiens (Human)
Description:
Q16853
Residue:
763
Sequence:
MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN
  
Inhibitor
Name:
BDBM561958
Synonyms:
US11396495, No. 13 | ethyl 2-[6-[(Z)-2-(aminomethyl)-3-fluoro-allyloxy]-1-oxo-3,4-dihydro isoquinolin-2-yl]acetate
Type:
Small organic molecule
Emp. Form.:
C17H21FN2O4
Mol. Mass.:
336.358
SMILES:
CCOC(=O)CN1CCc2cc(OC\C(CN)=C/F)ccc2C1=O |$;;O;;;;;;;;;;;;;;;;;;;;;$|
Structure:
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