Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50354138 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_770526 (CHEMBL1839229) |
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IC50 | 8400±n/a nM |
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Citation | Demont, EH; Arpino, S; Bit, RA; Campbell, CA; Deeks, N; Desai, S; Dowell, SJ; Gaskin, P; Gray, JR; Harrison, LA; Haynes, A; Heightman, TD; Holmes, DS; Humphreys, PG; Kumar, U; Morse, MA; Osborne, GJ; Panchal, T; Philpott, KL; Taylor, S; Watson, R; Willis, R; Witherington, J Discovery of a brain-penetrant S1P3-sparing direct agonist of the S1P¿? and S1P5 receptors efficacious at low oral dose. J Med Chem54:6724-33 (2011) [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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BDBM50354138 |
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n/a |
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Name | BDBM50354138 |
Synonyms: | CHEMBL1836215 |
Type | Small organic molecule |
Emp. Form. | C25H28N4O4 |
Mol. Mass. | 448.5142 |
SMILES | CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCc2c1C)C(CO)CO |
Structure |
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