Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50317153 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630896 (CHEMBL1113025) |
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IC50 | 650±n/a nM |
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Citation | Tsukada, T; Tamaki, K; Tanaka, J; Takagi, T; Yoshida, T; Okuno, A; Shiiki, T; Takahashi, M; Nishi, T A prodrug approach towards the development of tricyclic-based FBPase inhibitors. Bioorg Med Chem Lett20:2938-41 (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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BDBM50317153 |
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n/a |
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Name | BDBM50317153 |
Synonyms: | 4-[4-(4-Chloro-phenyl)-2-oxo-2lambda*5*-[1,3,2]dioxaphosphinan-2-ylmethoxy]-6,7-dimethyl-8H-indeno[1,2-d]thiazole | CHEMBL1097165 |
Type | Small organic molecule |
Emp. Form. | C22H21ClNO4PS |
Mol. Mass. | 461.898 |
SMILES | Cc1cc(OC[P@@]2(=O)OCC[C@H](O2)c2ccc(Cl)cc2)c-2c(Cc3scnc-23)c1C |r| |
Structure |
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