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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50297398'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297398
PNG
(CHEMBL563216 | N-[3,3-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50297398
PNG
(CHEMBL563216 | N-[3,3-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair