Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM50148817
Substrate
n/a
Meas. Tech.
ChEMBL_123279 (CHEMBL731800)
IC50
17800±n/a nM
Citation
 Velezheva, VS; Brennan, PJ; Marshakov, VY; Gusev, DV; Lisichkina, IN; Peregudov, AS; Tchernousova, LN; Smirnova, TG; Andreevskaya, SN; Medvedev, AE Novel pyridazino[4,3-b]indoles with dual inhibitory activity against Mycobacterium tuberculosis and monoamine oxidase. J Med Chem 47:3455-61 (2004) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] A
Synonyms:
AOFA_RAT | Amine oxidase (flavin-containing) A | Amine oxidase [flavin-containing] A | Maoa | Monoamine Oxidase Type A (MAO-A) | Monoamine oxidase | Monoamine oxidase A (MAO-A) | Monoamine oxidase A (rMAO-A) | Monoamine oxidase type A (MAOA)
Type:
Enzyme
Mol. Mass.:
59515.21
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
526
Sequence:
MTDLEKPNLAGHMFDVGLIGGGISGLAAAKLLSEYKINVLVLEARDRVGGRTYTVRNEHVKWVDVGGAYVGPTQNRILRLSKELGIETYKVNVNERLVQYVKGKTYPFRGAFPPVWNPLAYLDYNNLWRTMDEMGKEIPVDAPWQARHAQEWDKMTMKDLIDKICWTKTAREFAYLFVNINVTSEPHEVSALWFLWYVRQCGGTARIFSVTNGGQERKFVGGSGQVSEQIMGLLGDKVKLSSPVTYIDQTDDNIIVETLNHEHYECKYVISAIPPILTAKIHFKPELPPERNQLIQRLPMGAVIKCMVYYKEAFWKKKDYCGCMIIEDEEAPIAITLDDTKPDGSLPAIMGFILARKADRQAKLHKDIRKRKICELYAKVLGSQEALYPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIYFAGTETATQWSGYMEGAVEAGERAAREVLNALGKVAKKDIWVEEPESKDVPAIEITHTFLERNLPSVPGLLKITGVSTSVALLCFVLYKIKKLPC
  
Inhibitor
Name:
BDBM50148817
Synonyms:
5-Benzyl-4-(2-chloro-phenyl)-5H-pyridazino[4,3-b]indol-3-ylamine | CHEMBL325620
Type:
Small organic molecule
Emp. Form.:
C23H17ClN4
Mol. Mass.:
384.861
SMILES:
Nc1nnc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1Cl |(8.52,2.84,;6.99,2.81,;6.14,4.12,;4.61,4.04,;3.89,2.67,;2.42,2.27,;1.12,3.11,;-.25,2.41,;-.33,.9,;.96,.05,;2.33,.74,;3.77,.2,;4.17,-1.29,;3.08,-2.37,;1.61,-1.98,;.52,-3.06,;.92,-4.54,;2.4,-4.94,;3.49,-3.85,;4.73,1.37,;6.27,1.44,;7.1,.14,;6.38,-1.21,;7.19,-2.52,;8.73,-2.45,;9.45,-1.1,;8.64,.2,;9.97,.98,)|
Structure:
Search PDB for entries with ligand similarity: