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Target
Cytochrome P450 2D6
Ligand
BDBM50112245
Substrate
n/a
Meas. Tech.
ChEMBL_1512961 (CHEMBL3610074)
IC50
>100000±n/a nM
Citation
 Hoveyda, HR; Fraser, GL; Dutheuil, G; El Bousmaqui, M; Korac, J; Lenoir, F; Lapin, A; Noël, S Optimization of Novel Antagonists to the Neurokinin-3 Receptor for the Treatment of Sex-Hormone Disorders (Part II). ACS Med Chem Lett 6:736-40 (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:
BDBM50112245
Synonyms:
CHEMBL3608741 | US10030025, Compound 11 | US10836768, Cpd no 11 | US11731974, Compound 11 | US9422299, 11 | US9987274, Compound 11
Type:
Small organic molecule
Emp. Form.:
C17H17FN6O2S
Mol. Mass.:
388.419
SMILES:
Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1 |r|
Structure:
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