Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50003407
Substrate
n/a
Meas. Tech.
ChEMBL_1335578 (CHEMBL3239433)
IC50
>10000±n/a nM
Citation
 Phillips, DP; Gao, W; Yang, Y; Zhang, G; Lerario, IK; Lau, TL; Jiang, J; Wang, X; Nguyen, DG; Bhat, BG; Trotter, C; Sullivan, H; Welzel, G; Landry, J; Chen, Y; Joseph, SB; Li, C; Gordon, WP; Richmond, W; Johnson, K; Bretz, A; Bursulaya, B; Pan, S; McNamara, P; Seidel, HM Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy. J Med Chem 57:3263-82 (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:
BDBM50003407
Synonyms:
CHEMBL3234568
Type:
Small organic molecule
Emp. Form.:
C25H30F3N7O
Mol. Mass.:
501.5472
SMILES:
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
Structure:
Search PDB for entries with ligand similarity: