Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50495154
Substrate
n/a
Meas. Tech.
ChEMBL_1283600 (CHEMBL3107752)
IC50
4000±n/a nM
Citation
 Keenan, M; Chaplin, JH; Alexander, PW; Abbott, MJ; Best, WM; Khong, A; Botero, A; Perez, C; Cornwall, S; Thompson, RA; White, KL; Shackleford, DM; Koltun, M; Chiu, FC; Morizzi, J; Ryan, E; Campbell, M; von Geldern, TW; Scandale, I; Chatelain, E; Charman, SA Two analogues of fenarimol show curative activity in an experimental model of Chagas disease. J Med Chem 56:10158-70 (2013) [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:
BDBM50495154
Synonyms:
CHEMBL3104490
Type:
Small organic molecule
Emp. Form.:
C24H24ClN3O3S
Mol. Mass.:
469.984
SMILES:
CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1
Structure:
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