Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50538099 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1972164 (CHEMBL4604982) |
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IC50 | >25000±n/a nM |
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Citation | Liu, YA; Jin, Q; Zou, Y; Ding, Q; Yan, S; Wang, Z; Hao, X; Nguyen, B; Zhang, X; Pan, J; Mo, T; Jacobsen, K; Lam, T; Wu, TY; Petrassi, HM; Bursulaya, B; DiDonato, M; Gordon, WP; Liu, B; Baaten, J; Hill, R; Nguyen-Tran, V; Qiu, M; Zhang, YQ; Kamireddy, A; Espinola, S; Deaton, L; Ha, S; Harb, G; Jia, Y; Li, J; Shen, W; Schumacher, AM; Colman, K; Glynne, R; Pan, S; McNamara, P; Laffitte, B; Meeusen, S; Molteni, V; Loren, J Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133. J Med Chem63:2958-2973 (2020) [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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BDBM50538099 |
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n/a |
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Name | BDBM50538099 |
Synonyms: | CHEMBL4636064 |
Type | Small organic molecule |
Emp. Form. | C24H30N6O2 |
Mol. Mass. | 434.534 |
SMILES | CCN1CCN(CC1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 |
Structure |
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