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Target
Cytochrome P450 2D6
Ligand
BDBM50198394
Substrate
n/a
Meas. Tech.
ChEMBL_461650 (CHEMBL928768)
Ki
600±n/a nM
Citation
 Watson, RJ; Allen, DR; Birch, HL; Chapman, GA; Galvin, FC; Jopling, LA; Knight, RL; Meier, D; Oliver, K; Meissner, JW; Owen, DA; Thomas, EJ; Tremayne, N; Williams, SC Development of CXCR3 antagonists. Part 3: Tropenyl and homotropenyl-piperidine urea derivatives. Bioorg Med Chem Lett 18:147-51 (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:
BDBM50198394
Synonyms:
(E)-1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(naphthalen-2-yl)urea | 1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(naphthalen-2-yl)urea | CHEMBL244610
Type:
Small organic molecule
Emp. Form.:
C25H33N3O
Mol. Mass.:
391.549
SMILES:
O=C(NC1CCN(C\C2=C\CCCCCC2)CC1)Nc1ccc2ccccc2c1 |t:8|
Structure:
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