| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
|---|
| Ligand | BDBM50154889 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1561662 (CHEMBL3776877) |
|---|
| IC50 | 980±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 Chem24:1619-36 (2016) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 3A4 |
|---|
| 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: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
|
|
|
|---|
| BDBM50154889 |
|---|
| n/a |
|---|
| Name | BDBM50154889 |
|---|
| Synonyms: | CHEMBL3774783 | US10273244, Example 120 | US10584135, Example 120 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C23H26F3N7S |
|---|
| Mol. Mass. | 489.56 |
|---|
| SMILES | Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 |
|---|
| Structure | 
|
|---|
Search and Browse
