Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50334930 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_702471 (CHEMBL1656985) |
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IC50 | >10000±n/a nM |
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Citation | Aldegheri, L; Austin, NE; Ballantine, S; Bax, BD; Bradley, DM; Ballini, E; Harries, M; Harris, AJ; Clarke, BP; Mookherjee, C; Harrison, SA; Melarange, RA; Mosley, J; Oliosi, B; Dal Negro, G; Smith, KJ; Thewlis, KM; Ward, SE; Woollard, PM; Yusaf, SP Integration of lead optimization with crystallography for a membrane-bound ion channel target: discovery of a new class of AMPA receptor positive allosteric modulators. J Med Chem54:78-94 (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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BDBM50334930 |
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n/a |
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Name | BDBM50334930 |
Synonyms: | 1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole | CHEMBL1649656 |
Type | Small organic molecule |
Emp. Form. | C18H18F3N3O2 |
Mol. Mass. | 365.3496 |
SMILES | FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1 |
Structure |
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