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Target
Cytochrome P450 3A4
Ligand
BDBM50154842
Substrate
n/a
Meas. Tech.
ChEMBL_1561646 (CHEMBL3776861)
IC50
>1000±n/a nM
Citation
 Micheli, F; Bernardelli, A; Bianchi, F; Braggio, S; Castelletti, L; Cavallini, P; Cavanni, P; Cremonesi, S; Dal Cin, M; Feriani, A; Oliosi, B; Semeraro, T; Tarsi, L; Tomelleri, S; Wong, A; Visentini, F; Zonzini, L; Heidbreder, C 1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists. Bioorg Med Chem 24:1619-36 (2016) [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:
BDBM50154842
Synonyms:
CHEMBL3775589 | US10273244, Example 12 | US10584135, Example 12
Type:
Small organic molecule
Emp. Form.:
C22H28N6OS
Mol. Mass.:
424.562
SMILES:
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Structure:
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