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BDBM50441470 CHEMBL2436574

SMILES: FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccccc2Cl)cc1

InChI Key: InChIKey=AUIPYQUAOVXXPQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50441470   
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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441470
PNG
(CHEMBL2436574)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50441470
PNG
(CHEMBL2436574)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 2...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair