Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50364342 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_804823 (CHEMBL1953642) |
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IC50 | 12900±n/a nM |
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Citation | McElroy, WT; Tan, Z; Basu, K; Yang, SW; Smotryski, J; Ho, GD; Tulshian, D; Greenlee, WJ; Mullins, D; Guzzi, M; Zhang, X; Bleickardt, C; Hodgson, R Pyrazoloquinolines as PDE10A inhibitors: discovery of a tool compound. Bioorg Med Chem Lett22:1335-9 (2012) [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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BDBM50364342 |
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n/a |
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Name | BDBM50364342 |
Synonyms: | CHEMBL1950081 |
Type | Small organic molecule |
Emp. Form. | C22H20N4O2 |
Mol. Mass. | 372.4198 |
SMILES | COc1ccc(cc1)C(C#N)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12 |
Structure |
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