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Target
Cytochrome P450 3A4
Ligand
BDBM50385803
Substrate
n/a
Meas. Tech.
ChEMBL_823567 (CHEMBL2046010)
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 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50385803
Synonyms:
CHEMBL2041190
Type:
Small organic molecule
Emp. Form.:
C32H30N6O4
Mol. Mass.:
562.6184
SMILES:
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cnccn1
Structure:
Search PDB for entries with ligand similarity: