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Target
Cytochrome P450 3A4
Ligand
BDBM50254851
Substrate
n/a
Meas. Tech.
ChEMBL_559939 (CHEMBL1013733)
IC50
400±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:
BDBM50254851
Synonyms:
3-Cyclohexyl-1-[4'-((3R,5S)-3,5-dimethyl-piperazin-1-ylmethyl)-biphenyl-2-ylmethyl]-1-[2-(3-methoxy-phenyl)-ethyl]-urea | 3-cyclohexyl-1-((4'-(((3S,5R)-3,5-dimethylpiperazin-1-yl)methyl)biphenyl-2-yl)methyl)-1-(3-methoxyphenethyl)urea | CHEMBL501315
Type:
Small organic molecule
Emp. Form.:
C36H48N4O2
Mol. Mass.:
568.7919
SMILES:
COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 |r|
Structure:
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