Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50321353
Substrate
n/a
Meas. Tech.
ChEMBL_640296 (CHEMBL1174621)
IC50
87±n/a nM
Citation
 Wilson, KJ; Illig, CR; Chen, J; Wall, MJ; Ballentine, SK; DesJarlais, RL; Chen, Y; Schubert, C; Donatelli, R; Petrounia, I; Crysler, CS; Molloy, CJ; Chaikin, MA; Manthey, CL; Player, MR; Tomczuk, BE; Meegalla, SK Reducing ion channel activity in a series of 4-heterocyclic arylamide FMS inhibitors. Bioorg Med Chem Lett 20:3925-9 (2010) [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:
BDBM50321353
Synonyms:
4-cyano-N-(2-cyclohexenyl-4-(pyridin-4-yl)phenyl)-1H-imidazole-2-carboxamide | CHEMBL1172346
Type:
Small organic molecule
Emp. Form.:
C22H19N5O
Mol. Mass.:
369.4192
SMILES:
O=C(Nc1ccc(cc1C1=CCCCC1)-c1ccncc1)c1ncc([nH]1)C#N |t:10|
Structure:
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