Reaction Details |
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Target | Bifunctional epoxide hydrolase 2 |
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Ligand | BDBM50196656 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_432024 (CHEMBL918223) |
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IC50 | 50±n/a nM |
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Citation | Kim, IH; Nishi, K; Tsai, HJ; Bradford, T; Koda, Y; Watanabe, T; Morisseau, C; Blanchfield, J; Toth, I; Hammock, BD Design of bioavailable derivatives of 12-(3-adamantan-1-yl-ureido)dodecanoic acid, a potent inhibitor of the soluble epoxide hydrolase. Bioorg Med Chem15:312-23 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Bifunctional epoxide hydrolase 2 |
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Name: | Bifunctional epoxide hydrolase 2 |
Synonyms: | Eph2 | Ephx2 | Epoxide hydratase | HYES_MOUSE | Soluble epoxide hydrolase (sEH) |
Type: | Enzyme |
Mol. Mass.: | 62512.06 |
Organism: | Mus musculus (Mouse) |
Description: | P34914 |
Residue: | 554 |
Sequence: | MALRVAAFDLDGVLALPSIAGAFRRSEEALALPRDFLLGAYQTEFPEGPTEQLMKGKITF
SQWVPLMDESYRKSSKACGANLPENFSISQIFSQAMAARSINRPMLQAAIALKKKGFTTC
IVTNNWLDDGDKRDSLAQMMCELSQHFDFLIESCQVGMIKPEPQIYNFLLDTLKAKPNEV
VFLDDFGSNLKPARDMGMVTILVHNTASALRELEKVTGTQFPEAPLPVPCNPNDVSHGYV
TVKPGIRLHFVEMGSGPALCLCHGFPESWFSWRYQIPALAQAGFRVLAIDMKGYGDSSSP
PEIEEYAMELLCKEMVTFLDKLGIPQAVFIGHDWAGVMVWNMALFYPERVRAVASLNTPF
MPPDPDVSPMKVIRSIPVFNYQLYFQEPGVAEAELEKNMSRTFKSFFRASDETGFIAVHK
ATEIGGILVNTPEDPNLSKITTEEEIEFYIQQFKKTGFRGPLNWYRNTERNWKWSCKGLG
RKILVPALMVTAEKDIVLRPEMSKNMEKWIPFLKRGHIEDCGHWTQIEKPTEVNQILIKW
LQTEVQNPSVTSKI
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BDBM50196656 |
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n/a |
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Name | BDBM50196656 |
Synonyms: | 12-(3-adamantan-1-yl-ureido)-dodecanoic acid adamantan-1-yl ester | CHEMBL390796 |
Type | Small organic molecule |
Emp. Form. | C33H54N2O3 |
Mol. Mass. | 526.7935 |
SMILES | O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,27:28:31:35.34.33,THB:25:17:20:24.23.22,25:23:20:26.18.17,29:30:33:37.28.36,29:28:31.30.35:33,36:28:31:35.34.33,36:34:31:37.29.28,18:19:22:26.17.25,18:17:20.19.24:22| |
Structure |
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