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Target
Cytochrome P450 3A4
Ligand
BDBM50389041
Substrate
n/a
Meas. Tech.
ChEMBL_833383 (CHEMBL2067912)
IC50
>40000±n/a nM
Citation
 Certal, V; Halley, F; Virone-Oddos, A; Delorme, C; Karlsson, A; Rak, A; Thompson, F; Filoche-Rommé, B; El-Ahmad, Y; Carry, JC; Abecassis, PY; Lejeune, P; Vincent, L; Bonnevaux, H; Nicolas, JP; Bertrand, T; Marquette, JP; Michot, N; Benard, T; Below, P; Vade, I; Chatreaux, F; Lebourg, G; Pilorge, F; Angouillant-Boniface, O; Louboutin, A; Lengauer, C; Schio, L Discovery and optimization of new benzimidazole- and benzoxazole-pyrimidone selective PI3Kß inhibitors for the treatment of phosphatase and TENsin homologue (PTEN)-deficient cancers. J Med Chem 55:4788-805 (2012) [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:
BDBM50389041
Synonyms:
CHEMBL2064333
Type:
Small organic molecule
Emp. Form.:
C17H18FN5O2
Mol. Mass.:
343.3555
SMILES:
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cc(F)ccc12
Structure:
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