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Target
Cytochrome P450 3A4
Ligand
BDBM50203652
Substrate
n/a
Meas. Tech.
ChEMBL_1625798 (CHEMBL3868267)
IC50
3280±n/a nM
Citation
 Lombardo, M; Bender, K; London, C; Plotkin, MA; Kirkland, M; Mane, J; Pachanski, M; Geissler, W; Cummings, J; Habulihaz, B; Akiyama, TE; Di Salvo, J; Madeira, M; Pols, J; Powles, MA; Finley, MF; Johnson, E; Roussel, T; Uebele, VN; Crespo, A; Leung, D; Alleyne, C; Trusca, D; Lei, Y; Howard, AD; Ujjainwalla, F; Tata, JR; Sinz, CJ Discovery of benzofuran propanoic acid GPR120 agonists: From uHTS hit to mechanism-based pharmacodynamic effects. Bioorg Med Chem Lett 26:5724-5728 (2016) [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:
BDBM50203652
Synonyms:
CHEMBL3909872
Type:
Small organic molecule
Emp. Form.:
C19H18ClF3O4
Mol. Mass.:
402.792
SMILES:
Cc1cc(cc(C)c1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1Cl
Structure:
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