Reaction Details Report a problem with these data
Target
Sodium-dependent noradrenaline transporter
Ligand
BDBM50333972
Substrate
n/a
Meas. Tech.
ChEMBL_700294 (CHEMBL1647512)
IC50
90±n/a nM
Citation
 Angus, D; Bingham, M; Buchanan, D; Dunbar, N; Gibson, L; Goodwin, R; Haunsø, A; Houghton, A; Huggett, M; Morphy, R; Napier, S; Nimz, O; Passmore, J; Walker, G The identification, and optimisation of hERG selectivity, of a mixed NET/SERT re-uptake inhibitor for the treatment of pain. Bioorg Med Chem Lett 21:271-5 (2010) [PubMed]  Article 
Target
Name:
Sodium-dependent noradrenaline transporter
Synonyms:
Monoamine transporter | NAT1 | NET | NET1 | Noradrenaline Transporter (NET) | Norepinephrine Transporter (NET) | Norepinephrine transporter protein (NET) | SC6A2_HUMAN | SLC6A2 | SLC6A5 | Sodium-dependent noradrenaline transporter (NET) | Solute carrier family 6 member 2
Type:
Multi-pass membrane protein
Mol. Mass.:
69337.72
Organism:
Homo sapiens (Human)
Description:
P23975
Residue:
617
Sequence:
MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVVIVLYFSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSSINCITSFVSGFAIFSILGYMAHEHKVNIEDVATEGAGLVFILYPEAISTLSGSTFWAVVFFVMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTFGVTFSTFLLALFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFRPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYIFPPWANWVGWGIALSSMVLVPIYVIYKFLSTQGSLWERLAYGITPENEHHLVAQRDIRQFQLQHWLAI
  
Inhibitor
Name:
BDBM50333972
Synonyms:
CHEMBL1644605 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]octan-3-yloxy)-6-phenylisonicotinonitrile
Type:
Small organic molecule
Emp. Form.:
C19H19N3O
Mol. Mass.:
305.3737
SMILES:
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: