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PubMed code 23043222

Compile data set for download or QSAR
Found 125 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
Anandamide amidohydrolase


(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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n/an/a 500n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat cerebellum membranes pre-incubated for 10 mins before addition of [3H]AEA substrate in presence of ethyl alc...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397554
PNG
(CHEMBL2171253)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397568
PNG
(CHEMBL2171276)
Show SMILES CC(C(=O)Nc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C21H17ClN2O/c1-13(21(25)23-16-5-3-2-4-6-16)14-7-9-17-18-12-15(22)8-10-19(18)24-20(17)11-14/h2-13,24H,1H3,(H,23,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397549
PNG
(CHEMBL2171262)
Show SMILES CCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C22H25ClN2O3/c1-3-4-5-6-11-24-22(28)25-19-10-8-16(23)13-18(19)17-9-7-15(12-20(17)25)14(2)21(26)27/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,28)(H,26,27)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397554
PNG
(CHEMBL2171253)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397571
PNG
(CHEMBL2171273)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C15H13NO2/c1-9(15(17)18)10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-9,16H,1H3,(H,17,18)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397550
PNG
(CHEMBL374646)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(c1ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl2NO4S/c1-12(21(25)26)13-2-8-17-18-11-15(23)5-9-19(18)24(20(17)10-13)29(27,28)16-6-3-14(22)4-7-16/h2-12H,1H3,(H,25,26)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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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n/an/a 5.00E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50397558
PNG
(CARPROFEN | CHEMBL2171249)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397560
PNG
(CHEMBL2171247)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cnc[nH]1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H14ClN3O3/c1-10(19(25)26)11-2-4-13-14-7-12(20)3-5-16(14)23(17(13)6-11)18(24)15-8-21-9-22-15/h2-10H,1H3,(H,21,22)(H,25,26)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397558
PNG
(CARPROFEN | CHEMBL2171249)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397563
PNG
(CHEMBL2171259)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c3ccc(cc23)C(C)C(O)=O)cc1
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)16-5-9-19-20-12-17(24)6-10-21(20)25(22(19)11-16)13-15-3-7-18(28-2)8-4-15/h3-12,14H,13H2,1-2H3,(H,26,27)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397564
PNG
(CHEMBL2171258)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H17Cl2NO2/c1-13(22(26)27)15-4-8-18-19-11-17(24)7-9-20(19)25(21(18)10-15)12-14-2-5-16(23)6-3-14/h2-11,13H,12H2,1H3,(H,26,27)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397574
PNG
(CHEMBL2171242)
Show SMILES COc1ccc(cc1)C(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H18ClNO4/c1-13(23(27)28)15-5-9-18-19-12-16(24)6-10-20(19)25(21(18)11-15)22(26)14-3-7-17(29-2)8-4-14/h3-13H,1-2H3,(H,27,28)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397560
PNG
(CHEMBL2171247)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cnc[nH]1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H14ClN3O3/c1-10(19(25)26)11-2-4-13-14-7-12(20)3-5-16(14)23(17(13)6-11)18(24)15-8-21-9-22-15/h2-10H,1H3,(H,21,22)(H,25,26)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397555
PNG
(CHEMBL2171252)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m1/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397582
PNG
(CHEMBL2171265)
Show SMILES CCCCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C24H29ClN2O3/c1-3-4-5-6-7-8-13-26-24(30)27-21-12-10-18(25)15-20(21)19-11-9-17(14-22(19)27)16(2)23(28)29/h9-12,14-16H,3-8,13H2,1-2H3,(H,26,30)(H,28,29)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397567
PNG
(CHEMBL2171255)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C)c1ccc(Cl)cc21
Show InChI InChI=1S/C16H14ClNO2/c1-9(16(19)20)10-3-5-12-13-8-11(17)4-6-14(13)18(2)15(12)7-10/h3-9H,1-2H3,(H,19,20)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397578
PNG
(CHEMBL2171269)
Show SMILES CCCCCCOC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C22H24ClNO4/c1-3-4-5-6-11-28-22(27)24-19-10-8-16(23)13-18(19)17-9-7-15(12-20(17)24)14(2)21(25)26/h7-10,12-14H,3-6,11H2,1-2H3,(H,25,26)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
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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n/an/a 2.00E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2 pre-incubated for 5 mins before anandamide acid substrate addition by peroxidase activity detection based oxygen electrode a...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397573
PNG
(CHEMBL2171243)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)13-5-7-17-18-11-16(24)6-8-19(18)25(20(17)10-13)21(26)14-3-2-4-15(23)9-14/h2-12H,1H3,(H,27,28)
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n/an/a 2.01E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397555
PNG
(CHEMBL2171252)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397570
PNG
(CHEMBL2171274)
Show SMILES COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C16H14ClNO2/c1-9(16(19)20-2)10-3-5-12-13-8-11(17)4-6-14(13)18-15(12)7-10/h3-9,18H,1-2H3
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n/an/a 2.21E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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n/an/a 2.23E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397566
PNG
(CHEMBL2171256)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccccc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H18ClNO2/c1-14(22(25)26)16-7-9-18-19-12-17(23)8-10-20(19)24(21(18)11-16)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,25,26)
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n/an/a 2.33E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397576
PNG
(CHEMBL2171271)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccccc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H16ClNO3/c1-13(22(26)27)15-7-9-17-18-12-16(23)8-10-19(18)24(20(17)11-15)21(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)
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n/an/a 2.54E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397582
PNG
(CHEMBL2171265)
Show SMILES CCCCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C24H29ClN2O3/c1-3-4-5-6-7-8-13-26-24(30)27-21-12-10-18(25)15-20(21)19-11-9-17(14-22(19)27)16(2)23(28)29/h9-12,14-16H,3-8,13H2,1-2H3,(H,26,30)(H,28,29)
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n/an/a 2.68E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397553
PNG
(CHEMBL2171254)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m1/s1
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n/an/a 2.78E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397553
PNG
(CHEMBL2171254)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397575
PNG
(CHEMBL2171241)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(F)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15ClFNO3/c1-12(22(27)28)14-4-8-17-18-11-15(23)5-9-19(18)25(20(17)10-14)21(26)13-2-6-16(24)7-3-13/h2-12H,1H3,(H,27,28)
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n/an/a 3.09E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397578
PNG
(CHEMBL2171269)
Show SMILES CCCCCCOC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C22H24ClNO4/c1-3-4-5-6-11-28-22(27)24-19-10-8-16(23)13-18(19)17-9-7-15(12-20(17)24)14(2)21(25)26/h7-10,12-14H,3-6,11H2,1-2H3,(H,25,26)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397562
PNG
(CHEMBL216986)
Show SMILES COc1cccc(Cn2c3ccc(Cl)cc3c3ccc(cc23)C(C)C(O)=O)c1
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)16-6-8-19-20-12-17(24)7-9-21(20)25(22(19)11-16)13-15-4-3-5-18(10-15)28-2/h3-12,14H,13H2,1-2H3,(H,26,27)
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n/an/a 3.25E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397565
PNG
(CHEMBL2171257)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccc(cc1)C#N)c1ccc(Cl)cc21
Show InChI InChI=1S/C23H17ClN2O2/c1-14(23(27)28)17-6-8-19-20-11-18(24)7-9-21(20)26(22(19)10-17)13-16-4-2-15(12-25)3-5-16/h2-11,14H,13H2,1H3,(H,27,28)
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n/an/a 3.34E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
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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n/an/a 3.60E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397581
PNG
(CHEMBL2171266)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H16Cl2N2O3/c1-12(21(27)28)13-2-8-17-18-11-15(24)5-9-19(18)26(20(17)10-13)22(29)25-16-6-3-14(23)4-7-16/h2-12H,1H3,(H,25,29)(H,27,28)
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n/an/a 4.13E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397556
PNG
(CHEMBL2171251)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397556
PNG
(CHEMBL2171251)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m0/s1
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n/an/a 4.65E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397551
PNG
(CHEMBL2171261)
Show SMILES CCCCCCS(=O)(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C21H24ClNO4S/c1-3-4-5-6-11-28(26,27)23-19-10-8-16(22)13-18(19)17-9-7-15(12-20(17)23)14(2)21(24)25/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,25)
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n/an/a 5.03E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397553
PNG
(CHEMBL2171254)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m1/s1
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n/an/a 5.32E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397572
PNG
(CHEMBL2171244)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccccc1Cl)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)13-6-8-15-17-11-14(23)7-9-19(17)25(20(15)10-13)21(26)16-4-2-3-5-18(16)24/h2-12H,1H3,(H,27,28)
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n/an/a 5.96E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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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n/an/a 6.00E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 pre-incubated for 5 mins before arachidonic acid substrate addition in presence of DMSO by peroxidase activity detection bas...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397558
PNG
(CARPROFEN | CHEMBL2171249)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1
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n/an/a 6.42E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(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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n/an/a 6.60E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397555
PNG
(CHEMBL2171252)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m1/s1
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n/an/a 7.23E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397555
PNG
(CHEMBL2171252)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m1/s1
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n/an/a 7.43E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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n/an/a 7.86E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397553
PNG
(CHEMBL2171254)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m1/s1
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n/an/a 8.48E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397551
PNG
(CHEMBL2171261)
Show SMILES CCCCCCS(=O)(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C21H24ClNO4S/c1-3-4-5-6-11-28(26,27)23-19-10-8-16(22)13-18(19)17-9-7-15(12-20(17)23)14(2)21(24)25/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397562
PNG
(CHEMBL216986)
Show SMILES COc1cccc(Cn2c3ccc(Cl)cc3c3ccc(cc23)C(C)C(O)=O)c1
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)16-6-8-19-20-12-17(24)7-9-21(20)25(22(19)11-16)13-15-4-3-5-18(10-15)28-2/h3-12,14H,13H2,1-2H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397568
PNG
(CHEMBL2171276)
Show SMILES CC(C(=O)Nc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C21H17ClN2O/c1-13(21(25)23-16-5-3-2-4-6-16)14-7-9-17-18-12-15(22)8-10-19(18)24-20(17)11-14/h2-13,24H,1H3,(H,23,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397569
PNG
(CHEMBL2171275)
Show SMILES CC(C(=O)NCCO)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C17H17ClN2O2/c1-10(17(22)19-6-7-21)11-2-4-13-14-9-12(18)3-5-15(14)20-16(13)8-11/h2-5,8-10,20-21H,6-7H2,1H3,(H,19,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397570
PNG
(CHEMBL2171274)
Show SMILES COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C16H14ClNO2/c1-9(16(19)20-2)10-3-5-12-13-8-11(17)4-6-14(13)18-15(12)7-10/h3-9,18H,1-2H3
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397555
PNG
(CHEMBL2171252)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m1/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397569
PNG
(CHEMBL2171275)
Show SMILES CC(C(=O)NCCO)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C17H17ClN2O2/c1-10(17(22)19-6-7-21)11-2-4-13-14-9-12(18)3-5-15(14)20-16(13)8-11/h2-5,8-10,20-21H,6-7H2,1H3,(H,19,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397549
PNG
(CHEMBL2171262)
Show SMILES CCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C22H25ClN2O3/c1-3-4-5-6-11-24-22(28)25-19-10-8-16(23)13-18(19)17-9-7-15(12-20(17)25)14(2)21(26)27/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,28)(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397568
PNG
(CHEMBL2171276)
Show SMILES CC(C(=O)Nc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C21H17ClN2O/c1-13(21(25)23-16-5-3-2-4-6-16)14-7-9-17-18-12-15(22)8-10-19(18)24-20(17)11-14/h2-13,24H,1H3,(H,23,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397550
PNG
(CHEMBL374646)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(c1ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl2NO4S/c1-12(21(25)26)13-2-8-17-18-11-15(23)5-9-19(18)24(20(17)10-13)29(27,28)16-6-3-14(22)4-7-16/h2-12H,1H3,(H,25,26)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397572
PNG
(CHEMBL2171244)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccccc1Cl)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)13-6-8-15-17-11-14(23)7-9-19(17)25(20(15)10-13)21(26)16-4-2-3-5-18(16)24/h2-12H,1H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397552
PNG
(CHEMBL2171260)
Show SMILES COc1ccccc1Cn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)15-7-9-18-19-12-17(24)8-10-20(19)25(21(18)11-15)13-16-5-3-4-6-22(16)28-2/h3-12,14H,13H2,1-2H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397559
PNG
(CHEMBL2171248)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cscn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O3S/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397580
PNG
(CHEMBL2171267)
Show SMILES CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H27ClN2O3/c1-4-5-6-7-12-25(3)23(29)26-20-11-9-17(24)14-19(20)18-10-8-16(13-21(18)26)15(2)22(27)28/h8-11,13-15H,4-7,12H2,1-3H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397564
PNG
(CHEMBL2171258)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H17Cl2NO2/c1-13(22(26)27)15-4-8-18-19-11-17(24)7-9-20(19)25(21(18)10-15)12-14-2-5-16(23)6-3-14/h2-11,13H,12H2,1H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397570
PNG
(CHEMBL2171274)
Show SMILES COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C16H14ClNO2/c1-9(16(19)20-2)10-3-5-12-13-8-11(17)4-6-14(13)18-15(12)7-10/h3-9,18H,1-2H3
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397555
PNG
(CHEMBL2171252)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m1/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397575
PNG
(CHEMBL2171241)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(F)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15ClFNO3/c1-12(22(27)28)14-4-8-17-18-11-15(23)5-9-19(18)25(20(17)10-14)21(26)13-2-6-16(24)7-3-13/h2-12H,1H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397571
PNG
(CHEMBL2171273)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C15H13NO2/c1-9(15(17)18)10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-9,16H,1H3,(H,17,18)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397577
PNG
(CHEMBL2171270)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(C)=O)c1ccc(Cl)cc21
Show InChI InChI=1S/C17H14ClNO3/c1-9(17(21)22)11-3-5-13-14-8-12(18)4-6-15(14)19(10(2)20)16(13)7-11/h3-9H,1-2H3,(H,21,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397579
PNG
(CHEMBL2171268)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)NC1CCCCC1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H23ClN2O3/c1-13(21(26)27)14-7-9-17-18-12-15(23)8-10-19(18)25(20(17)11-14)22(28)24-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,28)(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397560
PNG
(CHEMBL2171247)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cnc[nH]1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H14ClN3O3/c1-10(19(25)26)11-2-4-13-14-7-12(20)3-5-16(14)23(17(13)6-11)18(24)15-8-21-9-22-15/h2-10H,1H3,(H,21,22)(H,25,26)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397577
PNG
(CHEMBL2171270)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(C)=O)c1ccc(Cl)cc21
Show InChI InChI=1S/C17H14ClNO3/c1-9(17(21)22)11-3-5-13-14-8-12(18)4-6-15(14)19(10(2)20)16(13)7-11/h3-9H,1-2H3,(H,21,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397578
PNG
(CHEMBL2171269)
Show SMILES CCCCCCOC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C22H24ClNO4/c1-3-4-5-6-11-28-22(27)24-19-10-8-16(23)13-18(19)17-9-7-15(12-20(17)24)14(2)21(25)26/h7-10,12-14H,3-6,11H2,1-2H3,(H,25,26)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397579
PNG
(CHEMBL2171268)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)NC1CCCCC1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H23ClN2O3/c1-13(21(26)27)14-7-9-17-18-12-15(23)8-10-19(18)25(20(17)11-14)22(28)24-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,28)(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397582
PNG
(CHEMBL2171265)
Show SMILES CCCCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C24H29ClN2O3/c1-3-4-5-6-7-8-13-26-24(30)27-21-12-10-18(25)15-20(21)19-11-9-17(14-22(19)27)16(2)23(28)29/h9-12,14-16H,3-8,13H2,1-2H3,(H,26,30)(H,28,29)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397563
PNG
(CHEMBL2171259)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c3ccc(cc23)C(C)C(O)=O)cc1
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)16-5-9-19-20-12-17(24)6-10-21(20)25(22(19)11-16)13-15-3-7-18(28-2)8-4-15/h3-12,14H,13H2,1-2H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397565
PNG
(CHEMBL2171257)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccc(cc1)C#N)c1ccc(Cl)cc21
Show InChI InChI=1S/C23H17ClN2O2/c1-14(23(27)28)17-6-8-19-20-11-18(24)7-9-21(20)26(22(19)10-17)13-16-4-2-15(12-25)3-5-16/h2-11,14H,13H2,1H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397569
PNG
(CHEMBL2171275)
Show SMILES CC(C(=O)NCCO)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C17H17ClN2O2/c1-10(17(22)19-6-7-21)11-2-4-13-14-9-12(18)3-5-15(14)20-16(13)8-11/h2-5,8-10,20-21H,6-7H2,1H3,(H,19,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397571
PNG
(CHEMBL2171273)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C15H13NO2/c1-9(15(17)18)10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-9,16H,1H3,(H,17,18)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397553
PNG
(CHEMBL2171254)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m1/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397561
PNG
(CHEMBL2171245)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H14Cl3NO3/c1-11(22(28)29)12-2-5-15-16-10-14(23)4-7-19(16)26(20(15)9-12)21(27)13-3-6-17(24)18(25)8-13/h2-11H,1H3,(H,28,29)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397573
PNG
(CHEMBL2171243)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)13-5-7-17-18-11-16(24)6-8-19(18)25(20(17)10-13)21(26)14-3-2-4-15(23)9-14/h2-12H,1H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397577
PNG
(CHEMBL2171270)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(C)=O)c1ccc(Cl)cc21
Show InChI InChI=1S/C17H14ClNO3/c1-9(17(21)22)11-3-5-13-14-8-12(18)4-6-15(14)19(10(2)20)16(13)7-11/h3-9H,1-2H3,(H,21,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397567
PNG
(CHEMBL2171255)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C)c1ccc(Cl)cc21
Show InChI InChI=1S/C16H14ClNO2/c1-9(16(19)20)10-3-5-12-13-8-11(17)4-6-14(13)18(2)15(12)7-10/h3-9H,1-2H3,(H,19,20)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397556
PNG
(CHEMBL2171251)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)14-4-8-17-18-11-16(24)7-9-19(18)25(20(17)10-14)21(26)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,27,28)/t12-/m0/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397559
PNG
(CHEMBL2171248)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cscn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O3S/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397574
PNG
(CHEMBL2171242)
Show SMILES COc1ccc(cc1)C(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H18ClNO4/c1-13(23(27)28)15-5-9-18-19-12-16(24)6-10-20(19)25(21(18)11-15)22(26)14-3-7-17(29-2)8-4-14/h3-13H,1-2H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397557
PNG
(CARPROFEN | CHEMBL2171250)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397576
PNG
(CHEMBL2171271)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccccc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H16ClNO3/c1-13(22(26)27)15-7-9-17-18-12-16(23)8-10-19(18)24(20(17)11-15)21(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397579
PNG
(CHEMBL2171268)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)NC1CCCCC1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H23ClN2O3/c1-13(21(26)27)14-7-9-17-18-12-15(23)8-10-19(18)25(20(17)11-14)22(28)24-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,28)(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397549
PNG
(CHEMBL2171262)
Show SMILES CCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C22H25ClN2O3/c1-3-4-5-6-11-24-22(28)25-19-10-8-16(23)13-18(19)17-9-7-15(12-20(17)25)14(2)21(26)27/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,28)(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397552
PNG
(CHEMBL2171260)
Show SMILES COc1ccccc1Cn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)15-7-9-18-19-12-17(24)8-10-20(19)25(21(18)11-15)13-16-5-3-4-6-22(16)28-2/h3-12,14H,13H2,1-2H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397564
PNG
(CHEMBL2171258)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H17Cl2NO2/c1-13(22(26)27)15-4-8-18-19-11-17(24)7-9-20(19)25(21(18)10-15)12-14-2-5-16(23)6-3-14/h2-11,13H,12H2,1H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397565
PNG
(CHEMBL2171257)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccc(cc1)C#N)c1ccc(Cl)cc21
Show InChI InChI=1S/C23H17ClN2O2/c1-14(23(27)28)17-6-8-19-20-11-18(24)7-9-21(20)26(22(19)10-17)13-16-4-2-15(12-25)3-5-16/h2-11,14H,13H2,1H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397554
PNG
(CHEMBL2171253)
Show SMILES C[C@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m0/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397557
PNG
(CARPROFEN | CHEMBL2171250)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397548
PNG
(CHEMBL2171263)
Show SMILES CNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C17H15ClN2O3/c1-9(16(21)22)10-3-5-12-13-8-11(18)4-6-14(13)20(15(12)7-10)17(23)19-2/h3-9H,1-2H3,(H,19,23)(H,21,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397557
PNG
(CARPROFEN | CHEMBL2171250)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397561
PNG
(CHEMBL2171245)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H14Cl3NO3/c1-11(22(28)29)12-2-5-15-16-10-14(23)4-7-19(16)26(20(15)9-12)21(27)13-3-6-17(24)18(25)8-13/h2-11H,1H3,(H,28,29)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397576
PNG
(CHEMBL2171271)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccccc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H16ClNO3/c1-13(22(26)27)15-7-9-17-18-12-16(23)8-10-19(18)24(20(17)11-15)21(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397580
PNG
(CHEMBL2171267)
Show SMILES CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H27ClN2O3/c1-4-5-6-7-12-25(3)23(29)26-20-11-9-17(24)14-19(20)18-10-8-16(13-21(18)26)15(2)22(27)28/h8-11,13-15H,4-7,12H2,1-3H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397547
PNG
(CHEMBL2171264)
Show SMILES CCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C20H21ClN2O3/c1-3-4-9-22-20(26)23-17-8-6-14(21)11-16(17)15-7-5-13(10-18(15)23)12(2)19(24)25/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,26)(H,24,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397548
PNG
(CHEMBL2171263)
Show SMILES CNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C17H15ClN2O3/c1-9(16(21)22)10-3-5-12-13-8-11(18)4-6-14(13)20(15(12)7-10)17(23)19-2/h3-9H,1-2H3,(H,19,23)(H,21,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397550
PNG
(CHEMBL374646)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(c1ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl2NO4S/c1-12(21(25)26)13-2-8-17-18-11-15(23)5-9-19(18)24(20(17)10-13)29(27,28)16-6-3-14(22)4-7-16/h2-12H,1H3,(H,25,26)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397562
PNG
(CHEMBL216986)
Show SMILES COc1cccc(Cn2c3ccc(Cl)cc3c3ccc(cc23)C(C)C(O)=O)c1
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)16-6-8-19-20-12-17(24)7-9-21(20)25(22(19)11-16)13-15-4-3-5-18(10-15)28-2/h3-12,14H,13H2,1-2H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397548
PNG
(CHEMBL2171263)
Show SMILES CNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C17H15ClN2O3/c1-9(16(21)22)10-3-5-12-13-8-11(18)4-6-14(13)20(15(12)7-10)17(23)19-2/h3-9H,1-2H3,(H,19,23)(H,21,22)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397566
PNG
(CHEMBL2171256)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccccc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H18ClNO2/c1-14(22(25)26)16-7-9-18-19-12-17(23)8-10-20(19)24(21(18)11-16)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,25,26)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397561
PNG
(CHEMBL2171245)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H14Cl3NO3/c1-11(22(28)29)12-2-5-15-16-10-14(23)4-7-19(16)26(20(15)9-12)21(27)13-3-6-17(24)18(25)8-13/h2-11H,1H3,(H,28,29)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397547
PNG
(CHEMBL2171264)
Show SMILES CCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C20H21ClN2O3/c1-3-4-9-22-20(26)23-17-8-6-14(21)11-16(17)15-7-5-13(10-18(15)23)12(2)19(24)25/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,26)(H,24,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397552
PNG
(CHEMBL2171260)
Show SMILES COc1ccccc1Cn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)15-7-9-18-19-12-17(24)8-10-20(19)25(21(18)11-15)13-16-5-3-4-6-22(16)28-2/h3-12,14H,13H2,1-2H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397553
PNG
(CHEMBL2171254)
Show SMILES C[C@@H](C(O)=O)c1ccc2c(c1)n(C(=O)c1cocn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O4/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)/t10-/m1/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397575
PNG
(CHEMBL2171241)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccc(F)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15ClFNO3/c1-12(22(27)28)14-4-8-17-18-11-15(23)5-9-19(18)25(20(17)10-14)21(26)13-2-6-16(24)7-3-13/h2-12H,1H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397566
PNG
(CHEMBL2171256)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(Cc1ccccc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H18ClNO2/c1-14(22(25)26)16-7-9-18-19-12-17(23)8-10-20(19)24(21(18)11-16)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,25,26)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397580
PNG
(CHEMBL2171267)
Show SMILES CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H27ClN2O3/c1-4-5-6-7-12-25(3)23(29)26-20-11-9-17(24)14-19(20)18-10-8-16(13-21(18)26)15(2)22(27)28/h8-11,13-15H,4-7,12H2,1-3H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397563
PNG
(CHEMBL2171259)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c3ccc(cc23)C(C)C(O)=O)cc1
Show InChI InChI=1S/C23H20ClNO3/c1-14(23(26)27)16-5-9-19-20-12-17(24)6-10-21(20)25(22(19)11-16)13-15-3-7-18(28-2)8-4-15/h3-12,14H,13H2,1-2H3,(H,26,27)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397559
PNG
(CHEMBL2171248)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cscn1)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H13ClN2O3S/c1-10(19(24)25)11-2-4-13-14-7-12(20)3-5-16(14)22(17(13)6-11)18(23)15-8-26-9-21-15/h2-10H,1H3,(H,24,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397573
PNG
(CHEMBL2171243)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)13-5-7-17-18-11-16(24)6-8-19(18)25(20(17)10-13)21(26)14-3-2-4-15(23)9-14/h2-12H,1H3,(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397581
PNG
(CHEMBL2171266)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H16Cl2N2O3/c1-12(21(27)28)13-2-8-17-18-11-15(24)5-9-19(18)26(20(17)10-13)22(29)25-16-6-3-14(23)4-7-16/h2-12H,1H3,(H,25,29)(H,27,28)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397551
PNG
(CHEMBL2171261)
Show SMILES CCCCCCS(=O)(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C21H24ClNO4S/c1-3-4-5-6-11-28(26,27)23-19-10-8-16(22)13-18(19)17-9-7-15(12-20(17)23)14(2)21(24)25/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,25)
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50397567
PNG
(CHEMBL2171255)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C)c1ccc(Cl)cc21
Show InChI InChI=1S/C16H14ClNO2/c1-9(16(19)20)10-3-5-12-13-8-11(17)4-6-14(13)18(2)15(12)7-10/h3-9H,1-2H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397572
PNG
(CHEMBL2171244)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)c1ccccc1Cl)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H15Cl2NO3/c1-12(22(27)28)13-6-8-15-17-11-14(23)7-9-19(17)25(20(15)10-13)21(26)16-4-2-3-5-18(16)24/h2-12H,1H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397574
PNG
(CHEMBL2171242)
Show SMILES COc1ccc(cc1)C(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C23H18ClNO4/c1-13(23(27)28)15-5-9-18-19-12-16(24)6-10-20(19)25(21(18)11-15)22(26)14-3-7-17(29-2)8-4-14/h3-13H,1-2H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50397547
PNG
(CHEMBL2171264)
Show SMILES CCCCNC(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C20H21ClN2O3/c1-3-4-9-22-20(26)23-17-8-6-14(21)11-16(17)15-7-5-13(10-18(15)23)12(2)19(24)25/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,26)(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50397581
PNG
(CHEMBL2171266)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc21
Show InChI InChI=1S/C22H16Cl2N2O3/c1-12(21(27)28)13-2-8-17-18-11-15(24)5-9-19(18)26(20(17)10-13)22(29)25-16-6-3-14(23)4-7-16/h2-12H,1H3,(H,25,29)(H,27,28)
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n/an/a 1.02E+5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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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n/an/a 1.70E+5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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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n/an/a 2.40E+5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 pre-incubated for 5 mins before arachidonic acid substrate addition in presence of ethanol by peroxidase activity detection ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%