| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50455078 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1753846 (CHEMBL4188606) |
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| IC50 | >20000±n/a nM |
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| Citation |  Ruf, S; Hallur, MS; Anchan, NK; Swamy, IN; Murugesan, KR; Sarkar, S; Narasimhulu, LK; Putta, VPRK; Shaik, S; Chandrasekar, DV; Mane, VS; Kadnur, SV; Suresh, J; Bhamidipati, RK; Singh, M; Burri, RR; Kristam, R; Schreuder, H; Czech, J; Rudolph, C; Marker, A; Langer, T; Mullangi, R; Yura, T; Gosu, R; Kannt, A; Dhakshinamoorthy, S; Rajagopal, S Novel nicotinamide analog as inhibitor of nicotinamide N-methyltransferase. Bioorg Med Chem Lett28:922-925 (2018) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50455078 |
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| n/a |
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| Name | BDBM50455078 |
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| Synonyms: | CHEMBL4218848 |
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| Type | Small organic molecule |
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| Emp. Form. | C7H9N3O |
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| Mol. Mass. | 151.1659 |
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| SMILES | CNc1ccc(cn1)C(N)=O |
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| Structure | 
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