Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50299645
Substrate
n/a
Meas. Tech.
ChEMBL_592412 (CHEMBL1037798)
IC50
1500±n/a nM
Citation
 Bey, E; Marchais-Oberwinkler, S; Negri, M; Kruchten, P; Oster, A; Klein, T; Spadaro, A; Werth, R; Frotscher, M; Birk, B; Hartmann, RW New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity. J Med Chem 52:6724-43 (2009) [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:
BDBM50299645
Synonyms:
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol | CHEMBL569862
Type:
Small organic molecule
Emp. Form.:
C17H14O2S
Mol. Mass.:
282.357
SMILES:
Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1
Structure:
Search PDB for entries with ligand similarity: