Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM11015
Substrate
BDBM10990
Meas. Tech.
MAO Inhibition Assay
pH
7.4±n/a
Temperature
311.15±n/a K
Ki
2.7±0.07 nM
Citation
 Chimenti, F; Maccioni, E; Secci, D; Bolasco, A; Chimenti, P; Granese, A; Befani, O; Turini, P; Alcaro, S; Ortuso, F; Cirilli, R; La Torre, F; Cardia, MC; Distinto, S Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole derivatives. J Med Chem 48:7113-22 (2005) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_BOVIN | Amine oxidase [flavin-containing] B | MAO-B | MAOB | Monoamine Oxidase Type B (MAO-B) | Monoamine oxidase | Monoamine oxidase B | Monoamine oxidase type B
Type:
PROTEIN
Mol. Mass.:
58428.94
Organism:
Bos taurus
Description:
ChEMBL_1501478
Residue:
520
Sequence:
MSSKCDVVVVGGGISGMAAAKLLHDSGLNVIVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNHILRLSKELGLETYKVNEVERLIHHTKGKSYPFRGSFPSVWNPITYLDHNNLWRTMDDMGREIPSDAPWKAPLAEQWDLMTMKELLDKICWTESSKQLAILFVNLCVTAEIHEVSALWFLWYVKQCGGTTRIFSTSNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIHIDQTGENVLVETLNHELYEAKYVISAVPPVLGMKIHFNPPLPMMRNQLITRVPLGSVIKSIVYYKEPFWRNMDYCGSMIIEGEEAPVAYALDDTKPDGSYPAIIGFILAHKARKLARLTKEERLKKLCDLYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTSYFPPGIMTQYGRVLRQPVGRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWLPEPESVDVPAKPITTTFLQRHLPSVPGLLKLIGLTTIFSATALGFLAHKRGLLVRI
  
Inhibitor
Name:
BDBM11015
Synonyms:
(+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide | 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazole deriv. 1R
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3S
Mol. Mass.:
329.847
SMILES:
Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8|
Structure:
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Substrate
Name:
BDBM10990
Synonyms:
3-amino-1-(2-aminophenyl)propan-1-one | Diaminopropiophenone | Kynuramine
Type:
Small organic molecule
Emp. Form.:
C9H12N2O
Mol. Mass.:
164.2044
SMILES:
NCCC(=O)c1ccccc1N
Structure:
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