Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50614699 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2298657 |
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IC50 | 1800±n/a nM |
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Citation | Markwalder, JA; Balog, AJ; Williams, DK; Nara, SJ; Reddy, R; Roy, S; Kanyaboina, Y; Li, X; Johnston, K; Fan, Y; Lewis, H; Marsilio, F; Yan, C; Critton, D; Newitt, JA; Traeger, SC; Wu, DR; Jure-Kunkel, MN; Jayaraman, L; Lin, TA; Sinz, MW; Hunt, JT; Seitz, SP Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1. Bioorg Med Chem Lett88:0 (2023) [PubMed] |
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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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BDBM50614699 |
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n/a |
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Name | BDBM50614699 |
Synonyms: | CHEMBL5267732 |
Type | Small organic molecule |
Emp. Form. | C28H32N6O2 |
Mol. Mass. | 484.5927 |
SMILES | CCCC(CCC)Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1 |
Structure |
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