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Target
Cytochrome P450 3A4
Ligand
BDBM50313661
Substrate
n/a
Meas. Tech.
ChEMBL_624623 (CHEMBL1111583)
IC50
>10000±n/a nM
Citation
 Lesuisse, D; Tiraboschi, G; Krick, A; Abecassis, PY; Dutruc-Rosset, G; Babin, D; Halley, F; Châtreau, F; Lachaud, S; Chevalier, A; Quarteronet, D; Burgevin, MC; Amara, C; Bertrand, P; Rooney, T Design of potent and selective GSK3beta inhibitors with acceptable safety profile and pharmacokinetics. Bioorg Med Chem Lett 20:2344-9 (2010) [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:
BDBM50313661
Synonyms:
CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide | N-(6-chloro-5-phenyl-1H-indazol-3-yl)butyramide
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3O
Mol. Mass.:
313.781
SMILES:
CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
Structure:
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