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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 = 'BDBM50297416'   
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


(Homo sapiens (Human))
BDBM50297416
PNG
(4-Cyano-N-[3,3-bis-(4-fluorophenyl)-propyl]-benzam...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C23H18F2N2O/c24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-27-23(28)19-3-1-16(15-26)2-4-19/h1-12,22H,13-14H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297416
PNG
(4-Cyano-N-[3,3-bis-(4-fluorophenyl)-propyl]-benzam...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C23H18F2N2O/c24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-27-23(28)19-3-1-16(15-26)2-4-19/h1-12,22H,13-14H2,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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