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Target
Cytochrome P450 2D6
Ligand
BDBM50385830
Substrate
n/a
Meas. Tech.
ChEMBL_823569 (CHEMBL2046012)
IC50
>50000±n/a nM
Citation
 Vachal, P; Miao, S; Pierce, JM; Guiadeen, D; Colandrea, VJ; Wyvratt, MJ; Salowe, SP; Sonatore, LM; Milligan, JA; Hajdu, R; Gollapudi, A; Keohane, CA; Lingham, RB; Mandala, SM; DeMartino, JA; Tong, X; Wolff, M; Steinhuebel, D; Kieczykowski, GR; Fleitz, FJ; Chapman, K; Athanasopoulos, J; Adam, G; Akyuz, CD; Jena, DK; Lusen, JW; Meng, J; Stein, BD; Xia, L; Sherer, EC; Hale, JJ 1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia. J Med Chem 55:2945-59 (2012) [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:
BDBM50385830
Synonyms:
CHEMBL2041185
Type:
Small organic molecule
Emp. Form.:
C33H32N6O5
Mol. Mass.:
592.6444
SMILES:
COc1nccnc1N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Structure:
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