Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50297309 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_760135 (CHEMBL1815391) |
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IC50 | >10000±n/a nM |
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Citation | Moree, WJ; Li, BF; Zamani-Kord, S; Yu, J; Coon, T; Huang, C; Marinkovic, D; Tucci, FC; Malany, S; Bradbury, MJ; Hernandez, LM; Wen, J; Wang, H; Hoare, SR; Petroski, RE; Jalali, K; Yang, C; Sacaan, A; Madan, A; Crowe, PD; Beaton, G Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia. Bioorg Med Chem Lett20:5874-8 (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 |
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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BDBM50297309 |
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n/a |
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Name | BDBM50297309 |
Synonyms: | (-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine | (-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzo[b]thiophen-2-yl]-ethyl}-amine | CHEMBL564144 |
Type | Small organic molecule |
Emp. Form. | C19H22N2S |
Mol. Mass. | 310.456 |
SMILES | C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r| |
Structure |
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