Ki Summary

Reaction Details

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Target

Bifunctional epoxide hydrolase 2

Ligand

BDBM50196648

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_432024 (CHEMBL918223)

IC50

50±n/a nM

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

More Info.:

Get all data from this article, Assay Method

Bifunctional epoxide hydrolase 2

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

BDBM50196648

n/a

Name

BDBM50196648

Synonyms:

12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-methyl]-amide | CHEMBL375113

Type

Small organic molecule

Emp. Form.

C31H54N4O8

Mol. Mass.

610.7825

SMILES

OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|

Structure