Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50011135
Substrate
n/a
Meas. Tech.
ChEMBL_1351381 (CHEMBL3266594)
IC50
>50000±n/a nM
Citation
 Pinard, E; Alberati, D; Alvarez-Sanchez, R; Brom, V; Burner, S; Fischer, H; Hauser, N; Kolczewski, S; Lengyel, J; Mory, R; Saladin, C; Schulz-Gasch, T; Stalder, H 3-Amido-3-aryl-piperidines: A Novel Class of Potent, Selective, and Orally Active GlyT1 Inhibitors. ACS Med Chem Lett 5:428-33 (2014) [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:
BDBM50011135
Synonyms:
CHEMBL3259928
Type:
Small organic molecule
Emp. Form.:
C22H25F3N2O2S
Mol. Mass.:
438.506
SMILES:
COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: