BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=AJDPQOBDAJWFMH-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 = 50454635   
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))
BDBM50454635
PNG
(CHEMBL4211037)
Show SMILES OC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:12.11,wD:15.18,(55.81,-41.23,;54.47,-40.46,;54.47,-38.92,;53.14,-41.23,;51.81,-40.46,;50.47,-41.23,;50.47,-42.77,;49.14,-40.46,;47.8,-41.23,;46.47,-40.45,;46.48,-38.91,;45.15,-38.14,;43.81,-38.91,;43.81,-40.45,;42.48,-41.21,;41.15,-40.44,;41.14,-38.91,;42.48,-38.14,;39.82,-41.21,;38.48,-40.44,;38.48,-38.9,;37.15,-41.21,;35.81,-40.45,;34.48,-41.22,;33.14,-40.45,;33.15,-38.9,;31.81,-38.13,;31.81,-36.59,;31.81,-35.19,;33.06,-35.58,;30.56,-35.58,;34.47,-38.13,;35.81,-38.9,;47.81,-38.15,;49.14,-38.91,)|
Show InChI InChI=1S/C23H24F3N3O6/c24-23(25,26)35-19-11-5-16(6-12-19)29-22(33)28-15-3-9-18(10-4-15)34-17-7-1-14(2-8-17)21(32)27-13-20(30)31/h1-2,5-8,11-12,15,18H,3-4,9-10,13H2,(H,27,32)(H,30,31)(H2,28,29,33)/t15-,18-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50454635
PNG
(CHEMBL4211037)
Show SMILES OC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:12.11,wD:15.18,(55.81,-41.23,;54.47,-40.46,;54.47,-38.92,;53.14,-41.23,;51.81,-40.46,;50.47,-41.23,;50.47,-42.77,;49.14,-40.46,;47.8,-41.23,;46.47,-40.45,;46.48,-38.91,;45.15,-38.14,;43.81,-38.91,;43.81,-40.45,;42.48,-41.21,;41.15,-40.44,;41.14,-38.91,;42.48,-38.14,;39.82,-41.21,;38.48,-40.44,;38.48,-38.9,;37.15,-41.21,;35.81,-40.45,;34.48,-41.22,;33.14,-40.45,;33.15,-38.9,;31.81,-38.13,;31.81,-36.59,;31.81,-35.19,;33.06,-35.58,;30.56,-35.58,;34.47,-38.13,;35.81,-38.9,;47.81,-38.15,;49.14,-38.91,)|
Show InChI InChI=1S/C23H24F3N3O6/c24-23(25,26)35-19-11-5-16(6-12-19)29-22(33)28-15-3-9-18(10-4-15)34-17-7-1-14(2-8-17)21(32)27-13-20(30)31/h1-2,5-8,11-12,15,18H,3-4,9-10,13H2,(H,27,32)(H,30,31)(H2,28,29,33)/t15-,18-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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