BindingDB logo
myBDB logout

null

SMILES: FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=MACHMAGZCIEHAE-UHFFFAOYSA-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 4 hits for monomerid = 50327849   
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))
BDBM50327849
PNG
(1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-8-6-14(7-9-16)23-18(26)24-15-10-12-25(13-11-15)30(27,28)17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327849
PNG
(1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-8-6-14(7-9-16)23-18(26)24-15-10-12-25(13-11-15)30(27,28)17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50327849
PNG
(1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-8-6-14(7-9-16)23-18(26)24-15-10-12-25(13-11-15)30(27,28)17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,23,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50327849
PNG
(1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-8-6-14(7-9-16)23-18(26)24-15-10-12-25(13-11-15)30(27,28)17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,23,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair