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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 = 'BDBM50446770'   
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)
BDBM50446770
PNG
(CHEMBL3114593)
Show SMILES Cc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-6-5-9-19(14-16)26-18-10-12-24(13-11-18)22(25)23-21-15-20(21)17-7-3-2-4-8-17/h2-9,14,18,20-21H,10-13,15H2,1H3,(H,23,25)/t20-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.5n/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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446770
PNG
(CHEMBL3114593)
Show SMILES Cc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-6-5-9-19(14-16)26-18-10-12-24(13-11-18)22(25)23-21-15-20(21)17-7-3-2-4-8-17/h2-9,14,18,20-21H,10-13,15H2,1H3,(H,23,25)/t20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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 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