Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50166452 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_552281 (CHEMBL995611) |
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IC50 | 180±n/a nM |
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Citation | Chen, C; Chen, Y; Pontillo, J; Guo, Z; Huang, CQ; Wu, D; Madan, A; Chen, T; Wen, J; Xie, Q; Tucci, FC; Rowbottom, M; Zhu, YF; Wade, W; Saunders, J; Bozigian, H; Struthers, RS Potent and orally bioavailable zwitterion GnRH antagonists with low CYP3A4 inhibitory activity. Bioorg Med Chem Lett18:3301-5 (2008) [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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BDBM50166452 |
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n/a |
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Name | BDBM50166452 |
Synonyms: | (R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-amino-2-phenylethyl)-5-(2-chlorophenyl)pyrimidine-2,4(1H,3H)-dione | 3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-chloro-phenyl)-1-(2-fluoro-6-methanesulfonyl-benzyl)-1H-pyrimidine-2,4-dione | CHEMBL371613 |
Type | Small organic molecule |
Emp. Form. | C26H23ClFN3O4S |
Mol. Mass. | 527.995 |
SMILES | CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r| |
Structure |
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