Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50452870
Substrate
n/a
Meas. Tech.
ChEMBL_1748556 (CHEMBL4183066)
IC50
15000±n/a nM
Citation
 Jeannot, F; Taillier, T; Despeyroux, P; Renard, S; Rey, A; Mourez, M; Poeverlein, C; Khichane, I; Perrin, MA; Versluys, S; Stavenger, RA; Huang, J; Germe, T; Maxwell, A; Cao, S; Huseby, DL; Hughes, D; Bacqué, E Imidazopyrazinones (IPYs): Non-Quinolone Bacterial Topoisomerase Inhibitors Showing Partial Cross-Resistance with Quinolones. J Med Chem 61:3565-3581 (2018) [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:
BDBM50452870
Synonyms:
CHEMBL4203118
Type:
Small organic molecule
Emp. Form.:
C18H13FN4O
Mol. Mass.:
320.3204
SMILES:
Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c(=O)c1nccn21
Structure:
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