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BDBM50192977 (S)-2-[6-(3-adamantan-1-yl-ureido)-hexanoylamino]-3-methyl-butyric acid::CHEMBL375967

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

InChI Key: InChIKey=KVLWDPZBRNYMLP-QPRVAFDKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192977   
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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50192977
PNG
((S)-2-[6-(3-adamantan-1-yl-ureido)-hexanoylamino]-...)
Show SMILES CC(C)[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O
Show InChI InChI=1S/C22H37N3O4/c1-14(2)19(20(27)28)24-18(26)6-4-3-5-7-23-21(29)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h14-17,19H,3-13H2,1-2H3,(H,24,26)(H,27,28)(H2,23,25,29)/t15?,16?,17?,19-,22?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 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