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Target
Cytochrome P450 2D6
Ligand
BDBM50107738
Substrate
n/a
Meas. Tech.
ChEMBL_1509304 (CHEMBL3603117)
IC50
>50000±n/a nM
Citation
 Müller, SG; Heckel, A; Kley, JT; Lehmann, T; Lustenberger, P; Oost, T; Roth, GJ; Rudolf, K; Arndt, K; Lenter, M; Lotz, RR; Maier, GM; Markert, M; Schindler, M; Stenkamp, D Design, synthesis and evaluation of MCH receptor 1 antagonists--Part I: Optimization of HTS hits towards an in vivo efficacious tool compound BI 414. Bioorg Med Chem Lett 25:3264-9 (2015) [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:
BDBM50107738
Synonyms:
CHEMBL3600818
Type:
Small organic molecule
Emp. Form.:
C26H27ClFN3O2
Mol. Mass.:
467.963
SMILES:
CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1
Structure:
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