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PubMed code 21612933

Compile data set for download or QSAR
Found 17 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


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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PubMed
n/an/a 40n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346896
PNG
(CHEMBL1798048)
Show SMILES O=C(NCCc1ccc2OCOc2c1)c1cc(on1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O4/c28-25(26-13-12-17-6-11-22-24(14-17)30-16-29-22)21-15-23(31-27-21)20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-11,14-15H,12-13,16H2,(H,26,28)
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n/an/a 88n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346890
PNG
(CHEMBL1798041)
Show SMILES O=C(NCCCc1ccccc1)c1cc(on1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c28-25(26-17-7-10-19-8-3-1-4-9-19)23-18-24(29-27-23)22-15-13-21(14-16-22)20-11-5-2-6-12-20/h1-6,8-9,11-16,18H,7,10,17H2,(H,26,28)
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n/an/a 500n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346897
PNG
(CHEMBL1798049)
Show SMILES O=C(NCCc1ccc2OCOc2c1)c1cc(on1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H18N2O4/c26-23(24-10-9-15-5-8-20-22(11-15)28-14-27-20)19-13-21(29-25-19)18-7-6-16-3-1-2-4-17(16)12-18/h1-8,11-13H,9-10,14H2,(H,24,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346891
PNG
(CHEMBL1798042)
Show SMILES O=C(NCCCc1ccccc1)c1cc(on1)-c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C27H22N2O2/c30-27(28-16-6-9-19-7-2-1-3-8-19)25-18-26(31-29-25)22-14-15-24-21(17-22)13-12-20-10-4-5-11-23(20)24/h1-5,7-8,10-15,17-18H,6,9,16H2,(H,28,30)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346899
PNG
(CHEMBL1798051)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(no1)C(=O)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H15F3N2O4/c21-20(22,23)14-4-2-13(3-5-14)17-10-15(25-29-17)19(26)24-8-7-12-1-6-16-18(9-12)28-11-27-16/h1-6,9-10H,7-8,11H2,(H,24,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346893
PNG
(CHEMBL1798045)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(no1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)16-10-8-15(9-11-16)18-13-17(25-27-18)19(26)24-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,24,26)
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n/an/a 2.51E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346894
PNG
(CHEMBL1798046)
Show SMILES O=C(NCCc1ccc2OCOc2c1)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c22-19(15-11-17(25-21-15)14-4-2-1-3-5-14)20-9-8-13-6-7-16-18(10-13)24-12-23-16/h1-7,10-11H,8-9,12H2,(H,20,22)
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n/an/a 2.51E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346895
PNG
(CHEMBL1798047)
Show SMILES Brc1ccc(cc1)-c1cc(no1)C(=O)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C19H15BrN2O4/c20-14-4-2-13(3-5-14)17-10-15(22-26-17)19(23)21-8-7-12-1-6-16-18(9-12)25-11-24-16/h1-6,9-10H,7-8,11H2,(H,21,23)
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n/an/a 3.98E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346900
PNG
(CHEMBL1798053)
Show SMILES O=C(NCCc1ccc2OCOc2c1)c1cc(on1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O4/c28-25(26-12-11-17-9-10-22-24(13-17)30-16-29-22)21-15-23(31-27-21)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-10,13-15H,11-12,16H2,(H,26,28)
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n/an/a 4.38E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346903
PNG
(CHEMBL1795470)
Show SMILES O=C(Nc1ccc2OCOc2c1)c1cc(on1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16N2O4/c26-23(24-18-10-11-20-22(12-18)28-14-27-20)19-13-21(29-25-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26)
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n/an/a 5.75E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346902
PNG
(CHEMBL1798055)
Show SMILES O=C(NCCc1ccccc1)c1cc(on1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H20N2O2/c27-24(25-16-15-18-7-3-1-4-8-18)22-17-23(28-26-22)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H,25,27)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346898
PNG
(CHEMBL1798050)
Show SMILES Cc1ccc(cc1)-c1cc(no1)C(=O)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H18N2O4/c1-13-2-5-15(6-3-13)18-11-16(22-26-18)20(23)21-9-8-14-4-7-17-19(10-14)25-12-24-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,23)
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n/an/a 7.94E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346904
PNG
(CHEMBL1795471)
Show SMILES O=C(NCc1ccc2OCOc2c1)c1cc(on1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-24(25-14-16-6-11-21-23(12-16)29-15-28-21)20-13-22(30-26-20)19-9-7-18(8-10-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,25,27)
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n/an/a 9.21E+4n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346901
PNG
(CHEMBL1798054)
Show SMILES O=C(NCc1ccccc1)c1cc(on1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2/c26-23(24-16-17-7-3-1-4-8-17)21-15-22(27-25-21)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-15H,16H2,(H,24,26)
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n/an/a 1.05E+5n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346892
PNG
(CHEMBL1798044)
Show SMILES Cc1ccc(cc1)-c1cc(no1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-15-9-11-17(12-10-15)19-14-18(22-24-19)20(23)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,21,23)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50346889
PNG
(CHEMBL1798040)
Show SMILES Brc1ccc(cc1)-c1cc(no1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C19H17BrN2O2/c20-16-10-8-15(9-11-16)18-13-17(22-24-18)19(23)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,23)
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n/an/a 2.51E+5n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation c...


Bioorg Med Chem 19: 3777-86 (2011)


Article DOI: 10.1016/j.bmc.2011.04.057
BindingDB Entry DOI: 10.7270/Q2VD6ZSP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%