Reaction Details Report a problem with these data
Target
Transporter
Ligand
BDBM50115559
Substrate
n/a
Meas. Tech.
ChEMBL_142636 (CHEMBL746904)
Ki
>10000±n/a nM
Citation
 Petukhov, PA; Zhang, J; Kozikowski, AP; Wang, CZ; Ye, YP; Johnson, KM; Tella, SR SAR studies of piperidine-based analogues of cocaine. 4. Effect of N-modification and ester replacement. J Med Chem 45:3161-70 (2002) [PubMed]  Article 
Target
Name:
Transporter
Synonyms:
Monoamine transporters; Norepininephrine & dopamine | Norepinephrine Monoamine transporters
Type:
PROTEIN
Mol. Mass.:
66787.87
Organism:
Rattus norvegicus
Description:
ChEMBL_1463061
Residue:
597
Sequence:
MVTRTRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQFNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFASFTLNLPWTNCGHAWNSPNCTDPKLLNASVLGDHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVIVVLYVSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSTINCVTSFISGFAIFSILGYMAHEHKVKIEDVATEGAGLVFVLYPEAISTLSGSTFWAVLFFLMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTCAVTLGTFLLAMFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFKPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYVYPPWANWVGWGIALSSMILVPAYVIYKFFSIRGSLWERVAYGITPENEHHLLALEIELSSLQSFVITSCPIDPLLSSFLFISCQKTLVFKKSGPAPLI
  
Inhibitor
Name:
BDBM50115559
Synonyms:
1-Acetyl-4-(4-chloro-phenyl)-piperidine-3-carboxylic acid methyl ester | CHEMBL326416
Type:
Small organic molecule
Emp. Form.:
C15H18ClNO3
Mol. Mass.:
295.761
SMILES:
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)C(C)=O
Structure:
Search PDB for entries with ligand similarity: