Reaction Details Report a problem with these data
Target
Cytochrome P450 2D4
Ligand
BDBM50122615
Substrate
n/a
Meas. Tech.
ChEMBL_51712 (CHEMBL665727)
IC50
1487000±n/a nM
Citation
 Venhorst, J; ter Laak, AM; Commandeur, JN; Funae, Y; Hiroi, T; Vermeulen, NP Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities. J Med Chem 46:74-86 (2002) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D4
Synonyms:
CP2D4_RAT | CYPIID4 | Cyp2d-18 | Cyp2d-4 | Cyp2d18 | Cyp2d4 | Cytochrome P450 2D18 | Cytochrome P450 2D4 | Cytochrome P450-CMF3 | Cytochrome P450-DB4 | Debrisoquine 4-hydroxylase
Type:
PROTEIN
Mol. Mass.:
56689.73
Organism:
Rattus norvegicus
Description:
ChEMBL_1280215
Residue:
500
Sequence:
MRMPTGSELWPIAIFTIIFLLLVDLMHRRQRWTSRYPPGPVPWPVLGNLLQIDFQNMPAGFQKLRCRFGDLFSLQLAFESVVVLNGLPALREALVKYSEDTADRPPLHFNDQSGFGPRSQGVVLARYGPAWRQQRRFSVSTFRHFGLGKKSLEQWVTEEARCLCAAFADHSGFPFSPNTLLDKAVCNVIASLLFACRFEYNDPRFIRLLDLLKDTLEEESGFLPMLLNVFPMLLHIPGLLGKVFSGKKAFVAMLDELLTEHKVTWDPAQPPRDLTDAFLAEVEKAKGNPESSFNDENLRVVVADLFMAGMVTTSTTLTWALLFMILRPDVQCRVQQEIDEVIGQVRRPEMADQARMPFTNAVIHEVQRFADILPLGVPHKTSRDIEVQGFLIPKGTTLIINLSSVLKDETVWEKPLRFHPEHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVPAGQPRPSNYGVFGALTTPRPYQLCASPR
  
Inhibitor
Name:
BDBM50122615
Synonyms:
CHEMBL2373353 | Dodecahydro-7,14-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocine
Type:
Small organic molecule
Emp. Form.:
C15H26N2
Mol. Mass.:
234.3803
SMILES:
[H][C@]12CN3CCCCC3[C@]([H])(CN3CCCCC13)C2
Structure:
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