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SMILES: OC(=O)c1ccc(CNC(=O)C2CCC(CC2)Nc2nc(NCCSCc3ccccc3)nc(NCCc3ccccc3)n2)cc1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50566618   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50566618
PNG
(CHEMBL4868985)
Show SMILES OC(=O)c1ccc(CNC(=O)C2CCC(CC2)Nc2nc(NCCSCc3ccccc3)nc(NCCc3ccccc3)n2)cc1 |(35.66,-10.93,;36.99,-11.7,;36.99,-13.24,;38.32,-10.93,;39.66,-11.7,;41,-10.93,;40.99,-9.38,;42.32,-8.61,;43.66,-9.37,;44.99,-8.6,;44.98,-7.06,;46.33,-9.36,;46.33,-10.9,;47.66,-11.66,;48.99,-10.89,;48.99,-9.35,;47.65,-8.58,;50.32,-11.66,;51.66,-10.89,;52.99,-11.67,;54.32,-10.9,;55.65,-11.67,;56.99,-10.9,;58.32,-11.67,;59.65,-10.9,;60.99,-11.67,;62.32,-10.9,;63.65,-11.67,;64.98,-10.91,;64.99,-9.36,;63.64,-8.59,;62.32,-9.37,;54.32,-9.36,;52.98,-8.59,;52.97,-7.05,;54.3,-6.27,;54.3,-4.73,;55.63,-3.96,;56.97,-4.73,;58.3,-3.96,;58.29,-2.41,;56.95,-1.65,;55.62,-2.43,;51.65,-9.36,;39.65,-8.62,;38.33,-9.39,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116216
BindingDB Entry DOI: 10.7270/Q22J6GNB
More data for this
Ligand-Target Pair