| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM254258 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1703501 (CHEMBL4054734) |
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| IC50 | 2800±n/a nM |
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| Citation |  Letavic, MA; Savall, BM; Allison, BD; Aluisio, L; Andres, JI; De Angelis, M; Ao, H; Beauchamp, DA; Bonaventure, P; Bryant, S; Carruthers, NI; Ceusters, M; Coe, KJ; Dvorak, CA; Fraser, IC; Gelin, CF; Koudriakova, T; Liang, J; Lord, B; Lovenberg, TW; Otieno, MA; Schoetens, F; Swanson, DM; Wang, Q; Wickenden, AD; Bhattacharya, A 4-Methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-Based P2X7 Receptor Antagonists: Optimization of Pharmacokinetic Properties Leading to the Identification of a Clinical Candidate. J Med Chem60:4559-4572 (2017) [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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| BDBM254258 |
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| n/a |
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| Name | BDBM254258 |
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| Synonyms: | US10112937, Example 148 | US10150765, Example 148 | US10703749, Example 148 | US9464084, 148 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H14ClF4N5O |
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| Mol. Mass. | 439.794 |
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| SMILES | C[C@H]1N(CCc2c1nnn2-c1cc(F)ccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| |
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| Structure | 
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