| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50252193 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_617698 (CHEMBL1102238) |
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| IC50 | 700±n/a nM |
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| Citation |  Zimmermann, K; Wittman, MD; Saulnier, MG; Velaparthi, U; Sang, X; Frennesson, DB; Struzynski, C; Seitz, SP; He, L; Carboni, JM; Li, A; Greer, AF; Gottardis, M; Attar, RM; Yang, Z; Balimane, P; Discenza, LN; Lee, FY; Sinz, M; Kim, S; Vyas, D SAR of PXR transactivation in benzimidazole-based IGF-1R kinase inhibitors. Bioorg Med Chem Lett20:1744-8 (2010) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50252193 |
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| n/a |
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| Name | BDBM50252193 |
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| Synonyms: | 4-((S)-2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one | 4-[(S)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-3-[6-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-4-methyl-1H-benzoimidazol-2-yl]-1H-pyridin-2-one | CHEMBL482101 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H30ClN5O4 |
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| Mol. Mass. | 536.022 |
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| SMILES | Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC2(CC1)OCCO2 |r| |
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| Structure | 
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