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PubMed code 23822179

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 [30-579]


(Rattus norvegicus (rat))
BDBM50437233
PNG
(CHEMBL2402911)
Show SMILES CC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-14(23)15-6-5-7-16(12-15)19-13-18(10-11-20(19)24)26-21(25)22-17-8-3-2-4-9-17/h5-7,10-13,17,24H,2-4,8-9H2,1H3,(H,22,25)
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n/an/a 0.300n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437232
PNG
(3‐(3‐carbamoylphenyl)‐4‐me...)
Show SMILES COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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n/an/a 0.5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437231
PNG
(CHEMBL2402925)
Show SMILES NC(=O)c1cccc(c1)-c1cc(O)cc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(9-14)15-10-17(23)12-18(11-15)26-20(25)22-16-7-2-1-3-8-16/h4-6,9-12,16,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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n/an/a 0.5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437230
PNG
(CHEMBL2402922)
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1CO
Show InChI InChI=1S/C21H24N2O4/c22-20(25)15-6-4-5-14(11-15)19-12-18(10-9-16(19)13-24)27-21(26)23-17-7-2-1-3-8-17/h4-6,9-12,17,24H,1-3,7-8,13H2,(H2,22,25)(H,23,26)
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n/an/a 1.20n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437229
PNG
(CHEMBL2402915)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C22H26N2O4/c1-24(2)21(26)16-8-6-7-15(13-16)19-14-18(11-12-20(19)25)28-22(27)23-17-9-4-3-5-10-17/h6-8,11-14,17,25H,3-5,9-10H2,1-2H3,(H,23,27)
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n/an/a 1.5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437228
PNG
(CHEMBL2402920)
Show SMILES OCc1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H23NO4/c22-13-14-5-4-6-15(11-14)18-12-17(9-10-19(18)23)25-20(24)21-16-7-2-1-3-8-16/h4-6,9-12,16,22-23H,1-3,7-8,13H2,(H,21,24)
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n/an/a 1.60n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437226
PNG
(CHEMBL2402919)
Show SMILES CC(O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C21H25NO4/c1-14(23)15-6-5-7-16(12-15)19-13-18(10-11-20(19)24)26-21(25)22-17-8-3-2-4-9-17/h5-7,10-14,17,23-24H,2-4,8-9H2,1H3,(H,22,25)
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n/an/a 2n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437227
PNG
(CHEMBL2402927 | US9187413, 1b (URB937))
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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n/an/a 2n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437225
PNG
(CHEMBL2402926)
Show SMILES COc1cc(OC(=O)NC2CCCCC2)cc(c1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O4/c1-26-18-11-16(14-6-5-7-15(10-14)20(22)24)12-19(13-18)27-21(25)23-17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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n/an/a 2n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437224
PNG
(CHEMBL2402918)
Show SMILES Cc1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H23NO3/c1-14-6-5-7-15(12-14)18-13-17(10-11-19(18)22)24-20(23)21-16-8-3-2-4-9-16/h5-7,10-13,16,22H,2-4,8-9H2,1H3,(H,21,23)
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n/an/a 2.5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437223
PNG
(CHEMBL2402916)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C19H22N2O5S/c20-27(24,25)16-8-4-5-13(11-16)17-12-15(9-10-18(17)22)26-19(23)21-14-6-2-1-3-7-14/h4-5,8-12,14,22H,1-3,6-7H2,(H,21,23)(H2,20,24,25)
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n/an/a 2.70n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437222
PNG
(CHEMBL2402914)
Show SMILES CNC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C21H24N2O4/c1-22-20(25)15-7-5-6-14(12-15)18-13-17(10-11-19(18)24)27-21(26)23-16-8-3-2-4-9-16/h5-7,10-13,16,24H,2-4,8-9H2,1H3,(H,22,25)(H,23,26)
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n/an/a 6n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437221
PNG
(CHEMBL2402917)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H23NO5S/c1-27(24,25)17-9-5-6-14(12-17)18-13-16(10-11-19(18)22)26-20(23)21-15-7-3-2-4-8-15/h5-6,9-13,15,22H,2-4,7-8H2,1H3,(H,21,23)
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n/an/a 6.30n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437220
PNG
(CHEMBL2402913)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C21H24N2O4/c1-14(24)22-17-9-5-6-15(12-17)19-13-18(10-11-20(19)25)27-21(26)23-16-7-3-2-4-8-16/h5-6,9-13,16,25H,2-4,7-8H2,1H3,(H,22,24)(H,23,26)
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n/an/a 15n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437219
PNG
(CHEMBL2402912)
Show SMILES OC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H21NO5/c22-18-10-9-16(26-20(25)21-15-7-2-1-3-8-15)12-17(18)13-5-4-6-14(11-13)19(23)24/h4-6,9-12,15,22H,1-3,7-8H2,(H,21,25)(H,23,24)
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n/an/a 32n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437218
PNG
(CHEMBL2402924)
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1OS([O-])(=O)=O
Show InChI InChI=1S/C20H22N2O7S/c21-19(23)14-6-4-5-13(11-14)17-12-16(9-10-18(17)29-30(25,26)27)28-20(24)22-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H2,21,23)(H,22,24)(H,25,26,27)/p-1
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n/an/a 34n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437217
PNG
(2‐(3‐carbamoylphenyl)‐4‐ [...)
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1C(O)=O
Show InChI InChI=1S/C21H22N2O5/c22-19(24)14-6-4-5-13(11-14)18-12-16(9-10-17(18)20(25)26)28-21(27)23-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H2,22,24)(H,23,27)(H,25,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%