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Target
Cytochrome P450 3A4
Ligand
BDBM50344080
Substrate
n/a
Meas. Tech.
ChEMBL_748604 (CHEMBL1780457)
IC50
>50000±n/a nM
Citation
 Walsh, SP; Severino, A; Zhou, C; He, J; Liang, GB; Tan, CP; Cao, J; Eiermann, GJ; Xu, L; Salituro, G; Howard, AD; Mills, SG; Yang, L 3-Substituted 3-(4-aryloxyaryl)-propanoic acids as GPR40 agonists. Bioorg Med Chem Lett 21:3390-4 (2011) [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:
BDBM50344080
Synonyms:
CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)hex-4-ynoic acid
Type:
Small organic molecule
Emp. Form.:
C20H14F6O4
Mol. Mass.:
432.3132
SMILES:
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Structure:
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