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Target
Cytochrome P450 2D6
Ligand
BDBM50240153
Substrate
n/a
Meas. Tech.
ChEMBL_555224 (CHEMBL965361)
IC50
750±n/a nM
Citation
 McAtee, JJ; Dodson, JW; Dowdell, SE; Erhard, K; Girard, GR; Goodman, KB; Hilfiker, MA; Jin, J; Sehon, CA; Sha, D; Shi, D; Wang, F; Wang, GZ; Wang, N; Wang, Y; Viet, AQ; Yuan, CC; Zhang, D; Aiyar, NV; Behm, DJ; Carballo, LH; Evans, CA; Fries, HE; Nagilla, R; Roethke, TJ; Xu, X; Douglas, SA; Neeb, MJ Potent and selective small-molecule human urotensin-II antagonists with improved pharmacokinetic profiles. Bioorg Med Chem Lett 18:3716-9 (2008) [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:
BDBM50240153
Synonyms:
(+/-)-2-((3,4-dichlorophenyl)(methyl)amino)-1-(3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone | CHEMBL254356 | rac-2-((3,4-dichlorophenyl)(methyl)amino)-1-(3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
Type:
Small organic molecule
Emp. Form.:
C25H31Cl2N3O
Mol. Mass.:
460.439
SMILES:
CN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Structure:
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