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BDBM50446766 CHEMBL3114597

SMILES: FC(F)(F)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1

InChI Key: InChIKey=QEGWVLIYGKYYLC-UXHICEINSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50446766   
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))
BDBM50446766
PNG
(CHEMBL3114597)
Show SMILES FC(F)(F)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)16-6-8-17(9-7-16)29-18-10-12-27(13-11-18)21(28)26-20-14-19(20)15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,26,28)/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446766
PNG
(CHEMBL3114597)
Show SMILES FC(F)(F)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)16-6-8-17(9-7-16)29-18-10-12-27(13-11-18)21(28)26-20-14-19(20)15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,26,28)/t19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair