Reaction Details  Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50353386
Substrate
n/a
Meas. Tech.
Biological Assay Example 6
Temperature
310.15±n/a K
IC50
7.4e+3±n/a nM
Comments
extracted
Citation
 Claremon, DA; Zhuang, L; Leftheris, K; Tice, CM; Ye, Y; Singh, SB; Himmelsbach, F Cyclic inhibitors of 11BETA-hydroxysteroid dehydrogenase 1 US Patent  US8592410 Publication Date 11/26/2013
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:
BDBM50353386
Synonyms:
CHEMBL1829763 | US8592410, 88 | US8592410, Comparator 3 | US8598163, 61
Type:
Small organic molecule
Emp. Form.:
C26H24F3NO3
Mol. Mass.:
455.4689
SMILES:
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Structure:
Search PDB for entries with ligand similarity: