Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50304158
Substrate
n/a
Meas. Tech.
ChEMBL_601026 (CHEMBL1069163)
IC50
2610±n/a nM
Citation
 Gökhan-Kelekçi, N; Simsek, OO; Ercan, A; Yelekçi, K; Sahin, ZS; Isik, S; Uçar, G; Bilgin, AA Synthesis and molecular modeling of some novel hexahydroindazole derivatives as potent monoamine oxidase inhibitors. Bioorg Med Chem 17:6761-72 (2009) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_RAT | Amine oxidase (flavin-containing) B | Amine oxidase [flavin-containing] B | Maob | Monoamine Oxidase Type B (MAO-B) | Monoamine oxidase | Monoamine oxidase B (MAO-B) | Monoamine oxidase B (rMAO-B) | Monoamine oxidase type B (MAOB) | Monoamine oxidase-B (MAO-B)
Type:
Enzyme
Mol. Mass.:
58469.65
Organism:
Rattus norvegicus (rat)
Description:
P19643
Residue:
520
Sequence:
MSNKCDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDYNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTNSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVVVKTLNHEIYEAKYVISAIPPVLGMKIHHSPPLPILRNQLITRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGEEAPIAYTLDDTKPDGSCAAIMGFILAHKARKLVRLTKEERLRKLCELYAKVLNSQEALQPVHYEEKNWCEEQYSGGCYTAYFPPGILTQYGRVLRQPVGKIFFAGTETASHWSGYMEGAVEAGERAAREILHAIGKIPEDEIWQPEPESVDVPARPITNTFLERHLPSVPGLLKLLGLTTILSATALGFLAHKKGLFVRF
  
Inhibitor
Name:
BDBM50304158
Synonyms:
3-(2-Thienyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7-hexahydro-2H-indazol | CHEMBL596339
Type:
Small organic molecule
Emp. Form.:
C13H17N3S2
Mol. Mass.:
279.424
SMILES:
CNC(=S)N1N=C2CCCCC2C1c1cccs1 |t:5|
Structure:
Search PDB for entries with ligand similarity: