Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50355126
Substrate
n/a
Meas. Tech.
ChEMBL_772500 (CHEMBL1839392)
IC50
>30000±n/a nM
Citation
 Tao, M; Raddatz, R; Aimone, LD; Hudkins, RL Synthesis and structure-activity relationships of 4,5-fused pyridazinones as histamine H3 receptor antagonists. Bioorg Med Chem Lett 21:6126-30 (2011) [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:
BDBM50355126
Synonyms:
CHEMBL1835706
Type:
Small organic molecule
Emp. Form.:
C23H27N3O2
Mol. Mass.:
377.4794
SMILES:
Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: