Reaction Details |
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Target | Bifunctional epoxide hydrolase 2 |
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Ligand | BDBM50217468 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_818494 (CHEMBL2032586) |
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IC50 | 1.8±n/a nM |
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Citation | Scherman, MS; North, EJ; Jones, V; Hess, TN; Grzegorzewicz, AE; Kasagami, T; Kim, IH; Merzlikin, O; Lenaerts, AJ; Lee, RE; Jackson, M; Morisseau, C; McNeil, MR Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability. Bioorg Med Chem20:3255-62 (2012) [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: | Cytosolic epoxide hydrolase 2 | EBifunctional epoxide hydrolase 2 | EPHX2 | Epoxide hydratase | HYES_HUMAN | Lipid-phosphate phosphatase | Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic |
Type: | Enzyme |
Mol. Mass.: | 62613.07 |
Organism: | Homo sapiens (Human) |
Description: | P34913 |
Residue: | 555 |
Sequence: | MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITL
SQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTA
ILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEV
VFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHG
YVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESS
APPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNT
PFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMH
KVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSL
GRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIK
WLDSDARNPPVVSKM
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BDBM50217468 |
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n/a |
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Name | BDBM50217468 |
Synonyms: | 1-adamantan-1-yl-3-[4-(4-fluorophenoxy)phenyl]urea | CHEMBL388015 |
Type | Small organic molecule |
Emp. Form. | C23H25FN2O2 |
Mol. Mass. | 380.4552 |
SMILES | Fc1ccc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19| |
Structure |
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