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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 228.3
BDBM150791
Purchase
Wt: 228.3
BDBM150792
Wt: 228.3
BDBM150786
Wt: 214.3
BDBM150787
Wt: 256.4
BDBM150794
Wt: 242.4
BDBM150795
Wt: 200.3
BDBM150796
Wt: 186.2
BDBM150797
Wt: 256.4
BDBM150788
Wt: 242.4
BDBM150789
Wt: 242.4
BDBM150790
Wt: 284.4
BDBM129249

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display   
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
Epoxide hydrolase (MsEH)


(Mus musculus (Mouse))
BDBM129249
PNG
(US8815951, 478)
Show SMILES CCCCCCCCCCCCNC(=O)NCC(C)C
Show InChI InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-17(20)19-15-16(2)3/h16H,4-15H2,1-3H3,(H2,18,19,20)
KEGG

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n/an/a 50n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM129249
PNG
(US8815951, 478)
Show SMILES CCCCCCCCCCCCNC(=O)NCC(C)C
Show InChI InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-17(20)19-15-16(2)3/h16H,4-15H2,1-3H3,(H2,18,19,20)
KEGG

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n/an/a 260n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM129249
PNG
(US8815951, 478)
Show SMILES CCCCCCCCCCCCNC(=O)NCC(C)C
Show InChI InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-17(20)19-15-16(2)3/h16H,4-15H2,1-3H3,(H2,18,19,20)
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150792
PNG
(N-methyl-N¿-undecyl urea (7))
Show SMILES CCCCCCCCCCCNC(=O)NC
Show InChI InChI=1S/C13H28N2O/c1-3-4-5-6-7-8-9-10-11-12-15-13(16)14-2/h3-12H2,1-2H3,(H2,14,15,16)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150786
PNG
(N-Methyl-N¿-(9-methyldecyl) urea (1))
Show SMILES CNC(=O)NCCCCCCCCC(C)C
Show InChI InChI=1S/C13H28N2O/c1-12(2)10-8-6-4-5-7-9-11-15-13(16)14-3/h12H,4-11H2,1-3H3,(H2,14,15,16)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150794
PNG
(N-Methyl-N¿-tridecyl urea (9))
Show SMILES CCCCCCCCCCCCCNC(=O)NC
Show InChI InChI=1S/C15H32N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(18)16-2/h3-14H2,1-2H3,(H2,16,17,18)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150789
PNG
(N-Methyl-N¿-dodecyl urea (4))
Show SMILES CCCCCCCCCCCCNC(=O)NC
Show InChI InChI=1S/C14H30N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(17)15-2/h3-13H2,1-2H3,(H2,15,16,17)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150788
PNG
(N-Methyl-N¿-(11-methyldodecyl) urea (3))
Show SMILES CNC(=O)NCCCCCCCCCCC(C)C
Show InChI InChI=1S/C15H32N2O/c1-14(2)12-10-8-6-4-5-7-9-11-13-17-15(18)16-3/h14H,4-13H2,1-3H3,(H2,16,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150797
PNG
(N-nonyl urea (12))
Show SMILES CCCCCCCCCNC(N)=O
Show InChI InChI=1S/C10H22N2O/c1-2-3-4-5-6-7-8-9-12-10(11)13/h2-9H2,1H3,(H3,11,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150796
PNG
(N-Methyl-N¿-nonyl urea (11))
Show SMILES CCCCCCCCCNC(=O)NC
Show InChI InChI=1S/C11H24N2O/c1-3-4-5-6-7-8-9-10-13-11(14)12-2/h3-10H2,1-2H3,(H2,12,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150795
PNG
(N-Tridecyl urea (10))
Show SMILES CCCCCCCCCCCCCNC(N)=O
Show InChI InChI=1S/C14H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14(15)17/h2-13H2,1H3,(H3,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150791
PNG
(N-Dodecyl urea (6))
Show SMILES CCCCCCCCCCCCNC(N)=O
Show InChI InChI=1S/C13H28N2O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16/h2-12H2,1H3,(H3,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150787
PNG
(N-(9-Methyldecyl) urea (2))
Show SMILES CC(C)CCCCCCCCNC(N)=O
Show InChI InChI=1S/C12H26N2O/c1-11(2)9-7-5-3-4-6-8-10-14-12(13)15/h11H,3-10H2,1-2H3,(H3,13,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair
Juvenile hormone epoxide hydrolase (JHEH)


(Manduca sexta (Tobacco hornworm))
BDBM150790
PNG
(N-(11-Methyldodecyl) urea (5))
Show SMILES CC(C)CCCCCCCCCCNC(N)=O
Show InChI InChI=1S/C14H30N2O/c1-13(2)11-9-7-5-3-4-6-8-10-12-16-14(15)17/h13H,3-12H2,1-2H3,(H3,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Goethe Universität Frankfurt



Assay Description
We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in cater...


Chembiochem 16: 766-71 (2015)


Article DOI: 10.1002/cbic.201402650
BindingDB Entry DOI: 10.7270/Q2959G8X
More data for this
Ligand-Target Pair