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Target
Cytochrome P450 3A4
Ligand
BDBM50414954
Substrate
n/a
Meas. Tech.
ChEMBL_593407 (CHEMBL1040535)
IC50
1258.93±n/a nM
Citation
 Evans, KA; Budzik, BW; Ross, SA; Wisnoski, DD; Jin, J; Rivero, RA; Vimal, M; Szewczyk, GR; Jayawickreme, C; Moncol, DL; Rimele, TJ; Armour, SL; Weaver, SP; Griffin, RJ; Tadepalli, SM; Jeune, MR; Shearer, TW; Chen, ZB; Chen, L; Anderson, DL; Becherer, JD; De Los Frailes, M; Colilla, FJ Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. J Med Chem 52:7962-5 (2009) [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:
BDBM50414954
Synonyms:
CHEMBL575966
Type:
Small organic molecule
Emp. Form.:
C18H14Cl2N2O2
Mol. Mass.:
361.222
SMILES:
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
Structure:
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