| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A1 |
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| Ligand | BDBM50185666 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_372933 (CHEMBL870531) |
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| IC50 | >10000±n/a nM |
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| Citation |  Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D Modulators of the human CCR5 receptor. Part 3: SAR of substituted 1-[3-(4-methanesulfonylphenyl)-3-phenylpropyl]-piperidinyl phenylacetamides. Bioorg Med Chem Lett16:3533-6 (2006) [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_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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| BDBM50185666 |
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| n/a |
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| Name | BDBM50185666 |
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| Synonyms: | (R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide | CHEMBL212689 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H38F2N2O5S2 |
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| Mol. Mass. | 632.781 |
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| SMILES | CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |
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| Structure | 
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