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PubMed code 22225576

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
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UniChem
Article
PubMed
n/an/a 520n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
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PubMed
n/an/a 650n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM237307
PNG
(4-Acetamidophenyl 2-(2-(4-isobutylphenyl)propanami...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)Oc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C23H28N2O4/c1-15(2)13-18-5-7-19(8-6-18)16(3)23(28)24-14-22(27)29-21-11-9-20(10-12-21)25-17(4)26/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,26)
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PubMed
n/an/a 1.50E+3n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM237308
PNG
(ibu-am14 (9))
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)Nc1ncccc1C
Show InChI InChI=1S/C21H27N3O2/c1-14(2)12-17-7-9-18(10-8-17)16(4)21(26)23-13-19(25)24-20-15(3)6-5-11-22-20/h5-11,14,16H,12-13H2,1-4H3,(H,23,26)(H,22,24,25)
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n/an/a 3.60E+3n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM237310
PNG
(2-(4-Isobutylphenyl)-N-(3-(3-methylpyridin-2-ylami...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCCC(=O)Nc1ncccc1C
Show InChI InChI=1S/C22H29N3O2/c1-15(2)14-18-7-9-19(10-8-18)17(4)22(27)24-13-11-20(26)25-21-16(3)6-5-12-23-21/h5-10,12,15,17H,11,13-14H2,1-4H3,(H,24,27)(H,23,25,26)
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UniChem
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PubMed
n/an/a 9.30E+3n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM237312
PNG
(2-(4-Isobutylphenyl)-N-(2-oxo-2-(pyridin-3-ylmethy...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)NCc1cccnc1
Show InChI InChI=1S/C21H27N3O2/c1-15(2)11-17-6-8-19(9-7-17)16(3)21(26)24-14-20(25)23-13-18-5-4-10-22-12-18/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,23,25)(H,24,26)
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UniChem
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PubMed
n/an/a 3.70E+4n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM237311
PNG
(2-(4-Isobutylphenyl)-N-(2-oxo-2-(pyridin-2- ylmeth...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)NCc1ccccn1
Show InChI InChI=1S/C21H27N3O2/c1-15(2)12-17-7-9-18(10-8-17)16(3)21(26)24-14-20(25)23-13-19-6-4-5-11-22-19/h4-11,15-16H,12-14H2,1-3H3,(H,23,25)(H,24,26)
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UniChem
Article
PubMed
n/an/a 9.00E+4n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM237306
PNG
(3-Methylpyridin-2-yl 2-(4-isobutylphenyl)propanoat...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Oc1ncccc1C
Show InChI InChI=1S/C19H23NO2/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(21)22-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3
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UniChem
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PubMed
n/an/a 1.15E+5n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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Article
PubMed
n/an/a 1.34E+5n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM237309
PNG
(2-(4-Isobutylphenyl)-N-(2-(6-methylpyridin-2-ylami...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C21H27N3O2/c1-14(2)12-17-8-10-18(11-9-17)16(4)21(26)22-13-20(25)24-19-7-5-6-15(3)23-19/h5-11,14,16H,12-13H2,1-4H3,(H,22,26)(H,23,24,25)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+5n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
PDB
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MCE
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PC cid
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PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.63E+5n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%