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BDBM50192984 (S)-2-[4-(3-adamantan-1-yl-ureido)-butyrylamino]-4-methylsulfanyl-butyric acid::CHEMBL425817

SMILES: CSCC[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O

InChI Key: InChIKey=FRVCMZCFKITWEP-OCABNYQQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192984   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50192984
PNG
((S)-2-[4-(3-adamantan-1-yl-ureido)-butyrylamino]-4...)
Show SMILES CSCC[C@H](NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O
Show InChI InChI=1S/C20H33N3O4S/c1-28-6-4-16(18(25)26)22-17(24)3-2-5-21-19(27)23-20-10-13-7-14(11-20)9-15(8-13)12-20/h13-16H,2-12H2,1H3,(H,22,24)(H,25,26)(H2,21,23,27)/t13?,14?,15?,16-,20?/m0/s1
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Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair