Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50382548
Substrate
n/a
Meas. Tech.
ChEMBL_816342 (CHEMBL2027164)
IC50
>25000±n/a nM
Citation
 Wang, F; Good, JA; Rath, O; Kaan, HY; Sutcliffe, OB; Mackay, SP; Kozielski, F Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity. J Med Chem 55:1511-25 (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:
BDBM50382548
Synonyms:
CHEMBL2022995
Type:
Small organic molecule
Emp. Form.:
C24H25NO2
Mol. Mass.:
359.4608
SMILES:
Cc1cccc(c1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: