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SMILES: COC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=ZMRQAODMZYVPQO-RZDIXWSQSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50454632   
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))
BDBM50454632
PNG
(CHEMBL4205926)
Show SMILES COC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(26.35,-29.49,;25.02,-28.72,;23.68,-29.49,;23.68,-31.03,;22.35,-28.71,;21.01,-29.48,;19.68,-28.71,;19.69,-27.17,;18.36,-26.4,;17.03,-27.16,;17.02,-28.7,;15.69,-29.47,;14.36,-28.69,;14.35,-27.16,;15.69,-26.39,;13.03,-29.47,;11.7,-28.7,;11.69,-27.16,;10.36,-29.47,;9.03,-28.7,;7.69,-29.47,;6.36,-28.7,;6.36,-27.16,;5.03,-26.39,;5.03,-24.85,;5.02,-23.45,;6.27,-23.83,;3.78,-23.83,;7.69,-26.39,;9.02,-27.15,;21.02,-26.4,;22.35,-27.17,)|
Show InChI InChI=1S/C22H23F3N2O5/c1-30-20(28)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)26-21(29)27-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,26,27,29)/t15-,18-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...


Bioorg Med Chem Lett 28: 762-768 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.003
BindingDB Entry DOI: 10.7270/Q2PV6NZ4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50454632
PNG
(CHEMBL4205926)
Show SMILES COC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(26.35,-29.49,;25.02,-28.72,;23.68,-29.49,;23.68,-31.03,;22.35,-28.71,;21.01,-29.48,;19.68,-28.71,;19.69,-27.17,;18.36,-26.4,;17.03,-27.16,;17.02,-28.7,;15.69,-29.47,;14.36,-28.69,;14.35,-27.16,;15.69,-26.39,;13.03,-29.47,;11.7,-28.7,;11.69,-27.16,;10.36,-29.47,;9.03,-28.7,;7.69,-29.47,;6.36,-28.7,;6.36,-27.16,;5.03,-26.39,;5.03,-24.85,;5.02,-23.45,;6.27,-23.83,;3.78,-23.83,;7.69,-26.39,;9.02,-27.15,;21.02,-26.4,;22.35,-27.17,)|
Show InChI InChI=1S/C22H23F3N2O5/c1-30-20(28)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)26-21(29)27-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,26,27,29)/t15-,18-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay


Bioorg Med Chem Lett 28: 762-768 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.003
BindingDB Entry DOI: 10.7270/Q2PV6NZ4
More data for this
Ligand-Target Pair