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Target
Cytochrome P450 3A4
Ligand
BDBM60632
Substrate
n/a
Meas. Tech.
ChEMBL_1289880 (CHEMBL3119735)
IC50
40000±n/a nM
Citation
 Certal, V; Carry, JC; Halley, F; Virone-Oddos, A; Thompson, F; Filoche-Rommé, B; El-Ahmad, Y; Karlsson, A; Charrier, V; Delorme, C; Rak, A; Abecassis, PY; Amara, C; Vincent, L; Bonnevaux, H; Nicolas, JP; Mathieu, M; Bertrand, T; Marquette, JP; Michot, N; Benard, T; Perrin, MA; Lemaitre, O; Guerif, S; Perron, S; Monget, S; Gruss-Leleu, F; Doerflinger, G; Guizani, H; Brollo, M; Delbarre, L; Bertin, L; Richepin, P; Loyau, V; Garcia-Echeverria, C; Lengauer, C; Schio, L Discovery and optimization of pyrimidone indoline amide PI3Kß inhibitors for the treatment of phosphatase and tensin homologue (PTEN)-deficient cancers. J Med Chem 57:903-20 (2014) [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:
BDBM60632
Synonyms:
BDBM50447095 | US9133168, 20b
Type:
n/a
Emp. Form.:
C19H22N4O3
Mol. Mass.:
354.403
SMILES:
C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r|
Structure:
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