Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50315201
Substrate
n/a
Meas. Tech.
ChEMBL_625164 (CHEMBL1115185)
IC50
22000±n/a nM
Citation
 Li, BF; Moree, WJ; Yu, J; Coon, T; Zamani-Kord, S; Malany, S; Jalali, K; Wen, J; Wang, H; Yang, C; Hoare, SR; Petroski, RE; Madan, A; Crowe, PD; Beaton, G Selectivity profiling of novel indene H(1)-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett 20:2629-33 (2010) [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:
BDBM50315201
Synonyms:
(R)-N,N-dimethyl-2-(6-methyl-3-(1-(pyrazin-2-yl)ethyl)-1H-inden-2-yl)ethanamine | CHEMBL1092663
Type:
Small organic molecule
Emp. Form.:
C20H25N3
Mol. Mass.:
307.4326
SMILES:
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1cnccn1 |r,c:2|
Structure:
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