| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50305990 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_605685 (CHEMBL1071215) |
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| IC50 | 2000±n/a nM |
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| Citation |  Gilbert, EJ; Zhou, G; Wong, MK; Tong, L; Shankar, BB; Huang, C; Kelly, J; Lavey, BJ; McCombie, SW; Chen, L; Rizvi, R; Dong, Y; Shu, Y; Kozlowski, JA; Shih, NY; Hipkin, RW; Gonsiorek, W; Malikzay, A; Lunn, CA; Favreau, L; Lundell, DJ Non-aromatic A-ring replacement in the triaryl bis-sulfone CB2 receptor inhibitors. Bioorg Med Chem Lett20:608-11 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C9 |
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| Name: | Cytochrome P450 2C9 |
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| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50305990 |
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| n/a |
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| Name | BDBM50305990 |
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| Synonyms: | CHEMBL596388 | N-((1-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)-4-ethylpiperidin-4-yl)methyl)-1,1,1-trifluoromethanesulfonamide |
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| Type | Small organic molecule |
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| Emp. Form. | C21H23ClF4N2O6S3 |
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| Mol. Mass. | 607.059 |
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| SMILES | CCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F |
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| Structure | 
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