| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A1 |
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| Ligand | BDBM50380112 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_811205 (CHEMBL2015040) |
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| IC50 | 61.4±n/a nM |
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| Citation |  El Massry, AM; Asal, AM; Khattab, SN; Haiba, NS; Awney, HA; Helmy, M; Langer, V; Amer, A Synthesis and structure elucidation of novel fused 1,2,4-triazine derivatives as potent inhibitors targeting CYP1A1 activity. Bioorg Med Chem20:2624-37 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 1A1 |
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| Name: | Cytochrome P450 1A1 |
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| Synonyms: | CP1A1_RAT | Cyp1a-1 | Cyp1a1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59401.56 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_774160 |
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| Residue: | 524 |
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| Sequence: | MPSVYGFPAFTSATELLLAVTTFCLGFWVVRVTRTWVPKGLKSPPGPWGLPFIGHVLTLG
KNPHLSLTKLSQQYGDVLQIRIGSTPVVVLSGLNTIKQALVKQGDDFKGRPDLYSFTLIA
NGQSMTFNPDSGPLWAARRRLAQNALKSFSIASDPTLASSCYLEEHVSKEAEYLISKFQK
LMAEVGHFDPFKYLVVSVANVICAICFGRRYDHDDQELLSIVNLSNEFGEVTGSGYPADF
IPILRYLPNSSLDAFKDLNKKFYSFMKKLIKEHYRTFEKGHIRDITDSLIEHCQDRRLDE
NANVQLSDDKVITIVFDLFGAGFDTITTAISWSLMYLVTNPRIQRKIQEELDTVIGRDRQ
PRLSDRPQLPYLEAFILETFRHSSFVPFTIPHSTIRDTSLNGFYIPKGHCVFVNQWQVNH
DQELWGDPNEFRPERFLTSSGTLDKHLSEKVILFGLGKRKCIGETIGRLEVFLFLAILLQ
QMEFNVSPGEKVDMTPAYGLTLKHARCEHFQVQMRSSGPQHLQA
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| BDBM50380112 |
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| n/a |
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| Name | BDBM50380112 |
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| Synonyms: | CHEMBL2013102 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H25N7O7 |
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| Mol. Mass. | 559.5301 |
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| SMILES | COc1ccc(CC2=NN3C(=NN(C(C)=O)C33C(=O)N(C(C)=O)c4ccccc34)N(N(C(C)=O)C(C)=O)C2=O)cc1 |c:10,t:7| |
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| Structure | 
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