Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50364958 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_804471 (CHEMBL1952481) |
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IC50 | >30000±n/a nM |
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Citation | Hudkins, RL; Zulli, AL; Dandu, Rr; Tao, M; Josef, KA; Aimone, LD; Haltiwanger, RC; Huang, Z; Lyons, JA; Mathiasen, JR; Raddatz, R; Gruner, JA 4-phenoxypiperidine pyridazin-3-one histamine H(3) receptor inverse agonists demonstrating potent and robust wake promoting activity. Bioorg Med Chem Lett22:1504-9 (2012) [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 |
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
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BDBM50364958 |
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n/a |
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Name | BDBM50364958 |
Synonyms: | CHEMBL1950743 |
Type | Small organic molecule |
Emp. Form. | C21H29N3O2 |
Mol. Mass. | 355.4739 |
SMILES | CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 |c:4| |
Structure |
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