Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50390168
Substrate
n/a
Meas. Tech.
ChEMBL_834635 (CHEMBL2072521)
IC50
1000±n/a nM
Citation
 Kim, HJ; Kwak, WY; Min, JP; Sung, SY; Kim, HD; Kim, MK; Kim, HS; Park, KJ; Son, MH; Kim, SH; Lee, BJ Dipeptidyl peptidase-4 inhibitor withß-amino amide scaffold: synthesis, SAR and biological evaluation. Bioorg Med Chem Lett 22:5545-9 (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:
BDBM50390168
Synonyms:
CHEMBL2069846
Type:
Small organic molecule
Emp. Form.:
C26H32F3N5O2
Mol. Mass.:
503.5598
SMILES:
CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Structure:
Search PDB for entries with ligand similarity: