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Target
Cytochrome P450 3A4
Ligand
BDBM50522626
Substrate
n/a
Meas. Tech.
ChEMBL_1887237 (CHEMBL4388914)
IC50
>10000±n/a nM
Citation
 Bischoff, FP; Velter, AI; Minne, G; Pieters, S; Berthelot, D; De Cleyn, M; Gijsen, HJM; Macdonald, G; Surkyn, M; Van Brandt, S; Van Roosbroeck, Y; Zavattaro, C; Mercken, M; Austin, N; Dhuyvetter, D; Borghys, H; Ahmad, I; Samanta, SK Design and synthesis of a novel series of cyanoindole derivatives as potent ?-secretase modulators. Bioorg Med Chem Lett 29:1737-1745 (2019) [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:
Human
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50522626
Synonyms:
CHEMBL4451760
Type:
Small organic molecule
Emp. Form.:
C23H19FN4O2
Mol. Mass.:
402.421
SMILES:
COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N |r|
Structure:
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