Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50344773 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_749189 (CHEMBL1780917) |
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IC50 | 1075±n/a nM |
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Citation | Kim, HJ; Kwak, WY; Min, JP; Lee, JY; Yoon, TH; Kim, HD; Shin, CY; Kim, MK; Choi, SH; Kim, HS; Yang, EK; Cheong, YH; Chae, YN; Park, KJ; Jang, JM; Choi, SJ; Son, MH; Kim, SH; Yoo, M; Lee, BJ Discovery of DA-1229: a potent, long acting dipeptidyl peptidase-4 inhibitor for the treatment of type 2 diabetes. Bioorg Med Chem Lett21:3809-12 (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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BDBM50344773 |
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n/a |
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Name | BDBM50344773 |
Synonyms: | (R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1-(4-methoxybenzyl)piperazin-2-one | CHEMBL1779699 |
Type | Small organic molecule |
Emp. Form. | C22H24F3N3O3 |
Mol. Mass. | 435.4395 |
SMILES | COc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r| |
Structure |
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