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Target
Cytochrome P450 3A4
Ligand
BDBM50254968
Substrate
n/a
Meas. Tech.
ChEMBL_559938 (CHEMBL1013732)
IC50
600±n/a nM
Citation
 Westaway, SM; Brown, SL; Conway, E; Heightman, TD; Johnson, CN; Lapsley, K; Macdonald, GJ; MacPherson, DT; Mitchell, DJ; Myatt, JW; Seal, JT; Stanway, SJ; Stemp, G; Thompson, M; Celestini, P; Colombo, A; Consonni, A; Gagliardi, S; Riccaboni, M; Ronzoni, S; Briggs, MA; Matthews, KL; Stevens, AJ; Bolton, VJ; Boyfield, I; Jarvie, EM; Stratton, SC; Sanger, GJ The discovery of biaryl carboxamides as novel small molecule agonists of the motilin receptor. Bioorg Med Chem Lett 18:6429-36 (2008) [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:
BDBM50254968
Synonyms:
CHEMBL479418 | [4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-biphenyl-2-yl]-[4-(4-fluoro-benzyl)-piperidin-1-yl]-methanone
Type:
Small organic molecule
Emp. Form.:
C32H38FN3O
Mol. Mass.:
499.662
SMILES:
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1 |r|
Structure:
Search PDB for entries with ligand similarity: