Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50174022 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_462185 (CHEMBL945013) |
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IC50 | 200±n/a nM |
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Citation | Gallant, M; Chauret, N; Claveau, D; Day, S; Deschênes, D; Dubé, D; Huang, Z; Lacombe, P; Laliberté, F; Lévesque, JF; Liu, S; Macdonald, D; Mancini, J; Masson, P; Mastracchio, A; Nicholson, D; Nicoll-Griffith, DA; Perrier, H; Salem, M; Styhler, A; Young, RN; Girard, Y Design, synthesis, and biological evaluation of 8-biarylquinolines: a novel class of PDE4 inhibitors. Bioorg Med Chem Lett18:1407-12 (2008) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50174022 |
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n/a |
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Name | BDBM50174022 |
Synonyms: | (E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline | 8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline | 8-(3-methoxyphenyl)-6-(pyridin-4-ylmethyl)quinoline | CHEMBL372575 | L-454560 |
Type | Small organic molecule |
Emp. Form. | C31H29N3O5S2 |
Mol. Mass. | 587.709 |
SMILES | Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O |
Structure |
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