| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2B6 |
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| Ligand | BDBM50156671 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1570736 (CHEMBL3795104) |
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| IC50 | >40000±n/a nM |
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| Citation |  Guo, J; Watterson, SH; Spergel, SH; Kempson, J; Langevine, CM; Shen, DR; Yarde, M; Cvijic, ME; Banas, D; Liu, R; Suchard, SJ; Gillooly, K; Taylor, T; Rex-Rabe, S; Shuster, DJ; McIntyre, KW; Cornelius, G; D'Arienzo, C; Marino, A; Balimane, P; Salter-Cid, L; McKinnon, M; Barrish, JC; Carter, PH; Pitts, WJ; Xie, J; Dyckman, AJ Identification and synthesis of potent and selective pyridyl-isoxazole based agonists of sphingosine-1-phosphate 1 (S1P1). Bioorg Med Chem Lett26:2470-4 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2B6 |
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| Name: | Cytochrome P450 2B6 |
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| Synonyms: | CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6) |
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| Type: | Protein |
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| Mol. Mass.: | 56289.75 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P20813 |
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| Residue: | 491 |
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| Sequence: | MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFRE
KYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNR
WKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIIC
SIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQE
INAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGT
ETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFS
DLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGAL
KKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKI
PPTYQIRFLPR
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| BDBM50156671 |
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| n/a |
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| Name | BDBM50156671 |
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| Synonyms: | CHEMBL3794145 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H16F3N5O4 |
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| Mol. Mass. | 471.3887 |
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| SMILES | OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 |
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| Structure | 
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