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Target
Cytochrome P450 3A4
Ligand
BDBM50223246
Substrate
n/a
Meas. Tech.
ChEMBL_458143 (CHEMBL925475)
IC50
30000±n/a nM
Citation
 Li, H; Asberom, T; Bara, TA; Clader, JW; Greenlee, WJ; Josien, HB; McBriar, MD; Nomeir, A; Pissarnitski, DA; Rajagopalan, M; Xu, R; Zhao, Z; Song, L; Zhang, L Discovery of 2,4,6-trisubstituted N-arylsulfonyl piperidines as gamma-secretase inhibitors. Bioorg Med Chem Lett 17:6290-4 (2007) [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:
BDBM50223246
Synonyms:
CHEMBL438525 | cis-1-(4-chlorophenylsulfonyl)-6-ethyl-4-methoxypiperidin-2-yl)methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H34ClN3O6S
Mol. Mass.:
504.04
SMILES:
CC[C@@H]1C[C@@H](C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
Structure:
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