Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM327994 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2198264 (CHEMBL5110780) |
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IC50 | 2000±n/a nM |
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Citation | Shaw, SJ; Goff, DA; Carroll, DC; Singh, R; Sweeny, DJ; Park, G; Jenkins, Y; Markovtsov, V; Sun, TQ; Issakani, SD; Hitoshi, Y; Payan, DG Structure activity relationships leading to the identification of the indirect activator of AMPK, R419. Bioorg Med Chem71:0 (2022) [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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BDBM327994 |
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n/a |
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Name | BDBM327994 |
Synonyms: | N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- methoxybenzyl) piperidine-1- carbonyl)picolinamide | US10377742, Compound 131 | US9663496, Compound 131 |
Type | Small organic molecule |
Emp. Form. | C33H37N5O3 |
Mol. Mass. | 551.6786 |
SMILES | COc1ccc(CC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 |
Structure |
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