Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50428878 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_945618 (CHEMBL2344952) |
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IC50 | 10.0±n/a nM |
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Citation | Taygerly, JP; McGee, LR; Rubenstein, SM; Houze, JB; Cushing, TD; Li, Y; Motani, A; Chen, JL; Frankmoelle, W; Ye, G; Learned, MR; Jaen, J; Miao, S; Timmermans, PB; Thoolen, M; Kearney, P; Flygare, J; Beckmann, H; Weiszmann, J; Lindstrom, M; Walker, N; Liu, J; Biermann, D; Wang, Z; Hagiwara, A; Iida, T; Aramaki, H; Kitao, Y; Shinkai, H; Furukawa, N; Nishiu, J; Nakamura, M Discovery of INT131: a selective PPAR¿ modulator that enhances insulin sensitivity. Bioorg Med Chem21:979-92 (2013) [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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BDBM50428878 |
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n/a |
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Name | BDBM50428878 |
Synonyms: | CHEMBL2338479 |
Type | Small organic molecule |
Emp. Form. | C18H9Cl4N3O3S |
Mol. Mass. | 489.159 |
SMILES | Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(c2)C#N)c(Cl)c1 |
Structure |
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