Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50441718 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_988273 (CHEMBL2439727) |
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IC50 | >26000±n/a nM |
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Citation | Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication. J Med Chem56:8049-65 (2013) [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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BDBM50441718 |
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n/a |
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Name | BDBM50441718 |
Synonyms: | CHEMBL2435858 |
Type | Small organic molecule |
Emp. Form. | C33H39N5O4 |
Mol. Mass. | 569.6939 |
SMILES | Cc1nc(Oc2ccc(cc2)C(N)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r| |
Structure |
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