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Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with all data for entry = 50015470   
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))
BDBM50586961
PNG
(CHEMBL5078180)
Show SMILES CC(C)Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586969
PNG
(CHEMBL5088299)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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Article
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586956
PNG
(CHEMBL5075652)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)S(=O)(=O)c2cccc(F)c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586964
PNG
(CHEMBL5074984)
Show SMILES CC(C)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586962
PNG
(CHEMBL5081457)
Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3CC3)ccc2c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586965
PNG
(CHEMBL5074074)
Show SMILES COCCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586945
PNG
(CHEMBL5084314)
Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586963
PNG
(CHEMBL5090087)
Show SMILES FC(F)(F)C(Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586954
PNG
(CHEMBL5079563)
Show SMILES CC(c1cccc(F)c1)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(C)(=O)=O)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586955
PNG
(CHEMBL5090873)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)C(=O)c2cccc(F)c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586960
PNG
(CHEMBL5081013)
Show SMILES CC(C)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586966
PNG
(CHEMBL5091134)
Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3COC3)ccc2c1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586944
PNG
(CHEMBL5090821)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586947
PNG
(CHEMBL5087833)
Show SMILES Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586948
PNG
(CHEMBL5087046)
Show SMILES CSCc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586949
PNG
(CHEMBL5080474)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586952
PNG
(CHEMBL5094953)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(Cl)c1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586959
PNG
(CHEMBL5092964)
Show SMILES CCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586943
PNG
(CHEMBL5087861)
Show SMILES Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586946
PNG
(CHEMBL5084336)
Show SMILES Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccc(NS(=O)(=O)C3CC3)cc2C(F)(F)F)c1
PDB

KEGG

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PDB
UniChem
PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50586956
PNG
(CHEMBL5075652)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)S(=O)(=O)c2cccc(F)c2)c(c1)C(F)(F)F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-n...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586951
PNG
(CHEMBL5074222)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(F)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586971
PNG
(CHEMBL5076679)
Show SMILES CC(C)S(=O)(=O)n1c(C)cc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586958
PNG
(CHEMBL5090820)
Show SMILES Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586940
PNG
(CHEMBL5092049)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ncc3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586967
PNG
(CHEMBL5076425)
Show SMILES CN(C)CCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586935
PNG
(CHEMBL5087313)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4ccccc4)c(=O)[nH]c3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586936
PNG
(CHEMBL5080856)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)c(=O)[nH]c3c2)c(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586957
PNG
(CHEMBL5077363)
Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2[nH]ccc2c1
PDB

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TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586970
PNG
(CHEMBL5074383)
Show SMILES Cc1cc2cc(ccc2n1Cc1cccc(F)c1)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

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TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586939
PNG
(CHEMBL5080632)
Show SMILES Fc1cccc(Cn2ncc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1
PDB

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TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586938
PNG
(CHEMBL5082042)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)cnc3c2)c(c1)C(F)(F)F
PDB

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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586953
PNG
(CHEMBL5085618)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)c(c1)C(F)(F)F
PDB

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TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50586944
PNG
(CHEMBL5090821)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
PDB

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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-n...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586927
PNG
(CHEMBL5075443)
Show SMILES Fc1cc(F)cc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)c1
PDB

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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586924
PNG
(CHEMBL5093048)
Show SMILES Fc1ccccc1Cn1c2ccc(cc2[nH]c1=O)C(=O)NCc1ccccc1C(F)(F)F
PDB

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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586921
PNG
(CHEMBL5084529)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3)c(=O)[nH]c2c1
PDB

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n/an/a 82n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586929
PNG
(CHEMBL5083326)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3cccc(Cl)c3)c(=O)[nH]c2c1
PDB

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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586932
PNG
(CHEMBL5090522)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccc(Cl)cc3Cl)c(=O)[nH]c2c1
PDB

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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586937
PNG
(CHEMBL5078732)
Show SMILES Fc1cccc(Cn2cnc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1
PDB

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n/an/a 107n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586926
PNG
(CHEMBL5074933)
Show SMILES Fc1ccc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)cc1
PDB

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n/an/a 142n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586925
PNG
(CHEMBL5071398)
Show SMILES Fc1cccc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)c1
PDB

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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586950
PNG
(CHEMBL5086086)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)cc1
PDB

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n/an/a 157n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586928
PNG
(CHEMBL5089975)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3Cl)c(=O)[nH]c2c1
PDB

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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50586970
PNG
(CHEMBL5074383)
Show SMILES Cc1cc2cc(ccc2n1Cc1cccc(F)c1)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
PDB

UniProtKB/SwissProt

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n/an/a 176n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-n...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586930
PNG
(CHEMBL5094324)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1
PDB

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n/an/a 197n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50586946
PNG
(CHEMBL5084336)
Show SMILES Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccc(NS(=O)(=O)C3CC3)cc2C(F)(F)F)c1
PDB

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PDB
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n/an/a 202n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-n...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586933
PNG
(CHEMBL5086718)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(=O)[nH]c2c1
PDB

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n/an/a 304n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586942
PNG
(CHEMBL5071964)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
PDB

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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50586934
PNG
(CHEMBL5086060)
Show SMILES COc1ccccc1Cn1c2ccc(cc2[nH]c1=O)C(=O)NCc1ccccc1C(F)(F)F
PDB

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n/an/a 319n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01331
BindingDB Entry DOI: 10.7270/Q2T43Z05
More data for this
Ligand-Target Pair
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