| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A1 |
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| Ligand | BDBM50614378 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2296677 |
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| IC50 | 10000±n/a nM |
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| Citation |  Nandekar, PP; Khomane, K; Chaudhary, V; Rathod, VP; Borkar, RM; Bhandi, MM; Srinivas, R; Sangamwar, AT; Guchhait, SK; Bansal, AK Identification of leads for antiproliferative activity on MDA-MB-435 human breast cancer cells through pharmacophore and CYP1A1-mediated metabolism. Eur J Med Chem115:82-93 (2016) [PubMed] |
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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_HUMAN | CYP1A1 | CYPIA1 | Cytochrome P450 1A | Cytochrome P450 1A1 | Cytochrome P450 1A1 (CYP1A1) | P450 form 6 | P450-C | P450-P1 |
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| Type: | Protein |
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| Mol. Mass.: | 58177.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P04798 |
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| Residue: | 512 |
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| Sequence: | MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPH
LALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQS
MSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAG
PGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPIL
RYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANV
QLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLS
DRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKL
WVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEF
SVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
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| BDBM50614378 |
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| n/a |
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| Name | BDBM50614378 |
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| Synonyms: | CHEMBL1574526 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H15ClN4O |
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| Mol. Mass. | 314.77 |
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| SMILES | Cc1cc(C)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1 |
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| Structure | 
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