| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50169351 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1577990 (CHEMBL3806689) |
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| IC50 | >20000±n/a nM |
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| Citation |  Wu, YJ; Guernon, J; Yang, F; Snyder, L; Shi, J; Mcclure, A; Rajamani, R; Park, H; Ng, A; Lewis, H; Chang, C; Camac, D; Toyn, JH; Ahlijanian, MK; Albright, CF; Macor, JE; Thompson, LA Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain Aß Reduction in Rodents. ACS Med Chem Lett7:271-6 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50169351 |
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| n/a |
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| Name | BDBM50169351 |
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| Synonyms: | CHEMBL3805852 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H22F2N6O3S |
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| Mol. Mass. | 488.51 |
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| SMILES | COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27| |
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| Structure | 
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