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BDBM50454629 CHEMBL4204930

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

InChI Key: InChIKey=JYPXATASHXXQOT-SAABIXHNSA-N

Data: 2 IC50

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 = 50454629   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50454629
PNG
(CHEMBL4204930)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(F)cc2)cc1 |r,wU:8.7,wD:11.14,(54.75,-18.54,;53.42,-19.3,;53.42,-20.84,;52.09,-18.53,;50.75,-19.3,;49.42,-18.53,;49.43,-16.99,;48.09,-16.22,;46.76,-16.98,;46.75,-18.52,;45.43,-19.29,;44.1,-18.51,;44.08,-16.98,;45.43,-16.21,;42.76,-19.29,;41.43,-18.52,;41.43,-16.98,;40.1,-19.29,;38.76,-18.52,;37.43,-19.29,;36.09,-18.52,;36.09,-16.98,;34.76,-16.21,;37.42,-16.21,;38.76,-16.97,;50.75,-16.22,;52.08,-16.99,)|
Show InChI InChI=1S/C20H21FN2O4/c21-14-3-5-15(6-4-14)22-20(26)23-16-7-11-18(12-8-16)27-17-9-1-13(2-10-17)19(24)25/h1-6,9-10,16,18H,7-8,11-12H2,(H,24,25)(H2,22,23,26)/t16-,18-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+3n/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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50454629
PNG
(CHEMBL4204930)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(F)cc2)cc1 |r,wU:8.7,wD:11.14,(54.75,-18.54,;53.42,-19.3,;53.42,-20.84,;52.09,-18.53,;50.75,-19.3,;49.42,-18.53,;49.43,-16.99,;48.09,-16.22,;46.76,-16.98,;46.75,-18.52,;45.43,-19.29,;44.1,-18.51,;44.08,-16.98,;45.43,-16.21,;42.76,-19.29,;41.43,-18.52,;41.43,-16.98,;40.1,-19.29,;38.76,-18.52,;37.43,-19.29,;36.09,-18.52,;36.09,-16.98,;34.76,-16.21,;37.42,-16.21,;38.76,-16.97,;50.75,-16.22,;52.08,-16.99,)|
Show InChI InChI=1S/C20H21FN2O4/c21-14-3-5-15(6-4-14)22-20(26)23-16-7-11-18(12-8-16)27-17-9-1-13(2-10-17)19(24)25/h1-6,9-10,16,18H,7-8,11-12H2,(H,24,25)(H2,22,23,26)/t16-,18-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/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