Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50150515
Substrate
n/a
Meas. Tech.
ChEMBL_1558600 (CHEMBL3774089)
IC50
30±n/a nM
Citation
 Shi, J; Zuev, D; Xu, L; Lentz, KA; Grace, JE; Toyn, JH; Olson, RE; Macor, JE; Thompson, LA Design and optimization of tricyclic gamma-secretase modulators. Bioorg Med Chem Lett 26:1498-502 (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:
BDBM50150515
Synonyms:
CHEMBL3771295
Type:
Small organic molecule
Emp. Form.:
C23H18FN5O
Mol. Mass.:
399.4203
SMILES:
Cc1cn(cn1)-c1cc2NC(=O)c3ccc(Cc4ccccc4)nc3Nc2cc1F
Structure:
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