Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50297305
Substrate
n/a
Meas. Tech.
ChEMBL_582987 (CHEMBL1051825)
IC50
6700±n/a nM
Citation
 Moree, WJ; Li, BF; Jovic, F; Coon, T; Yu, J; Gross, RS; Tucci, F; Marinkovic, D; Zamani-Kord, S; Malany, S; Bradbury, MJ; Hernandez, LM; O'Brien, Z; Wen, J; Wang, H; Hoare, SR; Petroski, RE; Sacaan, A; Madan, A; Crowe, PD; Beaton, G Characterization of novel selective H1-antihistamines for clinical evaluation in the treatment of insomnia. J Med Chem 52:5307-10 (2009) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50297305
Synonyms:
CHEMBL559251 | Dimethyl-[2-(3-pyrazin-2ylmethyl-1H-inden-2-yl)-ethyl]-amine | N,N-dimethyl-2-(3-(pyrazin-2-ylmethyl)-1H-inden-2-yl)ethanamine
Type:
Small organic molecule
Emp. Form.:
C18H21N3
Mol. Mass.:
279.3794
SMILES:
CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:5|
Structure:
Search PDB for entries with ligand similarity: