Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50022759
Substrate
n/a
Meas. Tech.
ChEMBL_1368994
IC50
>30000±n/a nM
Citation
 Turlington, M; Malosh, C; Jacobs, J; Manka, JT; Noetzel, MJ; Vinson, PN; Jadhav, S; Herman, EJ; Lavreysen, H; Mackie, C; Bartolomé-Nebreda, JM; Conde-Ceide, S; Martín-Martín, ML; Tong, HM; López, S; MacDonald, GJ; Steckler, T; Daniels, JS; Weaver, CD; Niswender, CM; Jones, CK; Conn, PJ; Lindsley, CW; Stauffer, SR Tetrahydronaphthyridine and dihydronaphthyridinone ethers as positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5). J Med Chem 57:5620-37 (2014) [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:
BDBM50022759
Synonyms:
CHEMBL3298273
Type:
Small organic molecule
Emp. Form.:
C15H13FN2O2
Mol. Mass.:
272.2743
SMILES:
Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
Structure:
Search PDB for entries with ligand similarity: