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PubMed code 26774927

Compile data set for download or QSAR
Found 120 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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 1.70n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153438
PNG
(CHEMBL3774873)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H12N2O2S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H3,10,11)
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n/an/a 3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153445
PNG
(CHEMBL3775280)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)CO
Show InChI InChI=1S/C9H12N2O/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2,(H3,10,11)
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n/an/a 3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153356
PNG
(CHEMBL3774686)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO4/c1-3-4-5-6-14-23-22(26)27-20-9-7-8-19(15-20)18-12-10-17(11-13-18)16(2)21(24)25/h7-13,15-16H,3-6,14H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153354
PNG
(CHEMBL3775510)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C(F)(F)F)C(C)C(O)=O
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-6-12-27-22(30)31-18-9-7-8-17(13-18)19-11-10-16(15(2)21(28)29)14-20(19)23(24,25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153357
PNG
(CHEMBL3775430)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1[N+]([O-])=O)C(C)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c1-3-4-5-6-12-23-22(27)30-18-9-7-8-17(13-18)19-11-10-16(15(2)21(25)26)14-20(19)24(28)29/h7-11,13-15H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153352
PNG
(CHEMBL3774941)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O
Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153359
PNG
(CHEMBL3774706)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@@H](C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153353
PNG
(CHEMBL3774833)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C)C(C)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-4-5-6-7-13-24-23(27)28-20-10-8-9-19(15-20)21-12-11-18(14-16(21)2)17(3)22(25)26/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27)(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153354
PNG
(CHEMBL3775510)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C(F)(F)F)C(C)C(O)=O
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-6-12-27-22(30)31-18-9-7-8-17(13-18)19-11-10-16(15(2)21(28)29)14-20(19)23(24,25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153379
PNG
(CHEMBL3775979)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C23H28FNO4/c1-3-4-5-6-7-13-25-23(28)29-19-10-8-9-18(14-19)20-12-11-17(15-21(20)24)16(2)22(26)27/h8-12,14-16H,3-7,13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153353
PNG
(CHEMBL3774833)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C)C(C)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-4-5-6-7-13-24-23(27)28-20-10-8-9-19(15-20)21-12-11-18(14-16(21)2)17(3)22(25)26/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27)(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153378
PNG
(CHEMBL3775041)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153441
PNG
(CHEMBL3775653)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 14n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153366
PNG
(CHEMBL3774467)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCC2CCCCC2)c1
Show InChI InChI=1S/C24H28FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h5,8-11,14-17H,2-4,6-7,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 18n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153377
PNG
(CHEMBL3775104)
Show SMILES CCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C21H24FNO4/c1-3-4-5-11-23-21(26)27-17-8-6-7-16(12-17)18-10-9-15(13-19(18)22)14(2)20(24)25/h6-10,12-14H,3-5,11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153352
PNG
(CHEMBL3774941)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O
Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153447
PNG
(CHEMBL3774393)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(C)cc1F
Show InChI InChI=1S/C9H13N3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H3,11,12)
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n/an/a 26n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153373
PNG
(CHEMBL3774805)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C26H26FNO4/c1-18(25(29)30)20-13-14-23(24(27)17-20)21-11-7-12-22(16-21)32-26(31)28-15-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-14,16-18H,5-6,10,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a 27n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153442
PNG
(CHEMBL3774442)
Show SMILES CCCCCCOC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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n/an/a 30n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153378
PNG
(CHEMBL3775041)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 31n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153355
PNG
(CHEMBL3775676)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1O)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO5/c1-3-4-5-6-12-23-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)24)15(2)21(25)26/h7-11,13-15,24H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 35n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153358
PNG
(CHEMBL3775528)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1N)C(C)C(O)=O
Show InChI InChI=1S/C22H28N2O4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12,23H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153444
PNG
(CHEMBL3775360)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(=O)OC
Show InChI InChI=1S/C10H11N2O2P/c1-15(13,14)8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3,(H2,11,12)(H,13,14)
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n/an/a 52n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153356
PNG
(CHEMBL3774686)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO4/c1-3-4-5-6-14-23-22(26)27-20-9-7-8-19(15-20)18-12-10-17(11-13-18)16(2)21(24)25/h7-13,15-16H,3-6,14H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 54n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153446
PNG
(CHEMBL3775770)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(CC(O)=O)cc1F
Show InChI InChI=1S/C10H14N2O2S/c1-15(13,14)7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
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n/an/a 63n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153440
PNG
(CHEMBL3775475)
Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H14NO2P/c1-10(2)8-4-6-9(7-5-8)13(3,11)12/h4-7H,1-3H3,(H,11,12)
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n/an/a 68n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153456
PNG
(CHEMBL3774999)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-2-3-4-5-11-22-20(25)26-16-8-6-7-14(12-16)17-10-9-15(19(23)24)13-18(17)21/h6-10,12-13H,2-5,11H2,1H3,(H,22,25)(H,23,24)
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n/an/a 85n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153372
PNG
(CHEMBL3774586)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C25H24FNO4/c1-17(24(28)29)19-12-13-22(23(26)16-19)20-10-5-11-21(15-20)31-25(30)27-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3,(H,27,30)(H,28,29)
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n/an/a 90n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153357
PNG
(CHEMBL3775430)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1[N+]([O-])=O)C(C)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c1-3-4-5-6-12-23-22(27)30-18-9-7-8-17(13-18)19-11-10-16(15(2)21(25)26)14-20(19)24(28)29/h7-11,13-15H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 130n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153366
PNG
(CHEMBL3774467)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCC2CCCCC2)c1
Show InChI InChI=1S/C24H28FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h5,8-11,14-17H,2-4,6-7,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 150n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 150n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50153377
PNG
(CHEMBL3775104)
Show SMILES CCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C21H24FNO4/c1-3-4-5-11-23-21(26)27-17-8-6-7-16(12-17)18-10-9-15(13-19(18)22)14(2)20(24)25/h6-10,12-14H,3-5,11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 160n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153442
PNG
(CHEMBL3774442)
Show SMILES CCCCCCOC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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n/an/a 170n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153371
PNG
(CHEMBL3775973)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C24H22FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 170n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153354
PNG
(CHEMBL3775510)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C(F)(F)F)C(C)C(O)=O
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-6-12-27-22(30)31-18-9-7-8-17(13-18)19-11-10-16(15(2)21(28)29)14-20(19)23(24,25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 200n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153358
PNG
(CHEMBL3775528)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1N)C(C)C(O)=O
Show InChI InChI=1S/C22H28N2O4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12,23H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 220n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153446
PNG
(CHEMBL3775770)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(CC(O)=O)cc1F
Show InChI InChI=1S/C10H14N2O2S/c1-15(13,14)7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
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n/an/a 240n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153376
PNG
(CHEMBL3774439)
Show SMILES CCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-3-4-10-22-20(25)26-16-7-5-6-15(11-16)17-9-8-14(12-18(17)21)13(2)19(23)24/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 260n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153369
PNG
(CHEMBL3774754)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C22H18FNO4/c1-14(21(25)26)15-10-11-19(20(23)13-15)16-6-5-9-18(12-16)28-22(27)24-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,27)(H,25,26)
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n/an/a 270n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153379
PNG
(CHEMBL3775979)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C23H28FNO4/c1-3-4-5-6-7-13-25-23(28)29-19-10-8-9-18(14-19)20-12-11-17(15-21(20)24)16(2)22(26)27/h8-12,14-16H,3-7,13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 320n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153365
PNG
(CHEMBL3774541)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCC2CCCCC2)c1
Show InChI InChI=1S/C23H26FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,25,28)(H,26,27)
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n/an/a 360n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153379
PNG
(CHEMBL3775979)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C23H28FNO4/c1-3-4-5-6-7-13-25-23(28)29-19-10-8-9-18(14-19)20-12-11-17(15-21(20)24)16(2)22(26)27/h8-12,14-16H,3-7,13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 370n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153378
PNG
(CHEMBL3775041)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 430n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153441
PNG
(CHEMBL3775653)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 560n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153377
PNG
(CHEMBL3775104)
Show SMILES CCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C21H24FNO4/c1-3-4-5-11-23-21(26)27-17-8-6-7-16(12-17)18-10-9-15(13-19(18)22)14(2)20(24)25/h6-10,12-14H,3-5,11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 570n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153372
PNG
(CHEMBL3774586)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C25H24FNO4/c1-17(24(28)29)19-12-13-22(23(26)16-19)20-10-5-11-21(15-20)31-25(30)27-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3,(H,27,30)(H,28,29)
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n/an/a 580n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153365
PNG
(CHEMBL3774541)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCC2CCCCC2)c1
Show InChI InChI=1S/C23H26FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,25,28)(H,26,27)
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n/an/a 600n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153355
PNG
(CHEMBL3775676)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1O)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO5/c1-3-4-5-6-12-23-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)24)15(2)21(25)26/h7-11,13-15,24H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 650n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153356
PNG
(CHEMBL3774686)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO4/c1-3-4-5-6-14-23-22(26)27-20-9-7-8-19(15-20)18-12-10-17(11-13-18)16(2)21(24)25/h7-13,15-16H,3-6,14H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 690n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153363
PNG
(CHEMBL3775954)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCC2)c1
Show InChI InChI=1S/C20H20FNO4/c1-12(19(23)24)13-8-9-17(18(21)11-13)14-4-2-7-16(10-14)26-20(25)22-15-5-3-6-15/h2,4,7-12,15H,3,5-6H2,1H3,(H,22,25)(H,23,24)
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n/an/a 720n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153439
PNG
(CHEMBL3775610)
Show SMILES CCCCCCNC(=O)Oc1ccccc1-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
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n/an/a 720n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153352
PNG
(CHEMBL3774941)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O
Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 730n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153357
PNG
(CHEMBL3775430)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1[N+]([O-])=O)C(C)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c1-3-4-5-6-12-23-22(27)30-18-9-7-8-17(13-18)19-11-10-16(15(2)21(25)26)14-20(19)24(28)29/h7-11,13-15H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 930n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153438
PNG
(CHEMBL3774873)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H12N2O2S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H3,10,11)
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n/an/a 990n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153445
PNG
(CHEMBL3775280)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)CO
Show InChI InChI=1S/C9H12N2O/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2,(H3,10,11)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153370
PNG
(CHEMBL3775392)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C23H20FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153353
PNG
(CHEMBL3774833)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C)C(C)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-4-5-6-7-13-24-23(27)28-20-10-8-9-19(15-20)21-12-11-18(14-16(21)2)17(3)22(25)26/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27)(H,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153375
PNG
(CHEMBL3774876)
Show SMILES CCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C19H20FNO4/c1-3-9-21-19(24)25-15-6-4-5-14(10-15)16-8-7-13(11-17(16)20)12(2)18(22)23/h4-8,10-12H,3,9H2,1-2H3,(H,21,24)(H,22,23)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153374
PNG
(CHEMBL3774618)
Show SMILES CCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C18H18FNO4/c1-3-20-18(23)24-14-6-4-5-13(9-14)15-8-7-12(10-16(15)19)11(2)17(21)22/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22)
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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 ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153446
PNG
(CHEMBL3775770)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(CC(O)=O)cc1F
Show InChI InChI=1S/C10H14N2O2S/c1-15(13,14)7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
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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 ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153439
PNG
(CHEMBL3775610)
Show SMILES CCCCCCNC(=O)Oc1ccccc1-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153369
PNG
(CHEMBL3774754)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C22H18FNO4/c1-14(21(25)26)15-10-11-19(20(23)13-15)16-6-5-9-18(12-16)28-22(27)24-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,27)(H,25,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153373
PNG
(CHEMBL3774805)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C26H26FNO4/c1-18(25(29)30)20-13-14-23(24(27)17-20)21-11-7-12-22(16-21)32-26(31)28-15-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-14,16-18H,5-6,10,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153367
PNG
(CHEMBL3774781)
Show SMILES CC(C)NC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C19H20FNO4/c1-11(2)21-19(24)25-15-6-4-5-14(9-15)16-8-7-13(10-17(16)20)12(3)18(22)23/h4-12H,1-3H3,(H,21,24)(H,22,23)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153359
PNG
(CHEMBL3774706)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@@H](C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153368
PNG
(CHEMBL3774867)
Show SMILES CC(C)CNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-12(2)11-22-20(25)26-16-6-4-5-15(9-16)17-8-7-14(10-18(17)21)13(3)19(23)24/h4-10,12-13H,11H2,1-3H3,(H,22,25)(H,23,24)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153370
PNG
(CHEMBL3775392)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C23H20FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
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n/an/a 4.18E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153362
PNG
(CHEMBL3775699)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCCC2)c1
Show InChI InChI=1S/C21H22FNO4/c1-13(20(24)25)14-9-10-18(19(22)12-14)15-5-4-8-17(11-15)27-21(26)23-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,23,26)(H,24,25)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153362
PNG
(CHEMBL3775699)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCCC2)c1
Show InChI InChI=1S/C21H22FNO4/c1-13(20(24)25)14-9-10-18(19(22)12-14)15-5-4-8-17(11-15)27-21(26)23-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,23,26)(H,24,25)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153364
PNG
(CHEMBL3774572)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CC2)c1
Show InChI InChI=1S/C19H18FNO4/c1-11(18(22)23)12-5-8-16(17(20)10-12)13-3-2-4-15(9-13)25-19(24)21-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,21,24)(H,22,23)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153372
PNG
(CHEMBL3774586)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C25H24FNO4/c1-17(24(28)29)19-12-13-22(23(26)16-19)20-10-5-11-21(15-20)31-25(30)27-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3,(H,27,30)(H,28,29)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153371
PNG
(CHEMBL3775973)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C24H22FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153376
PNG
(CHEMBL3774439)
Show SMILES CCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-3-4-10-22-20(25)26-16-7-5-6-15(11-16)17-9-8-14(12-18(17)21)13(2)19(23)24/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153361
PNG
(CHEMBL3775462)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C22H24FNO4/c1-14(21(25)26)15-10-11-19(20(23)13-15)16-6-5-9-18(12-16)28-22(27)24-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,24,27)(H,25,26)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153368
PNG
(CHEMBL3774867)
Show SMILES CC(C)CNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-12(2)11-22-20(25)26-16-6-4-5-15(9-16)17-8-7-14(10-18(17)21)13(3)19(23)24/h4-10,12-13H,11H2,1-3H3,(H,22,25)(H,23,24)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153361
PNG
(CHEMBL3775462)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C22H24FNO4/c1-14(21(25)26)15-10-11-19(20(23)13-15)16-6-5-9-18(12-16)28-22(27)24-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,24,27)(H,25,26)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153366
PNG
(CHEMBL3774467)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCC2CCCCC2)c1
Show InChI InChI=1S/C24H28FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h5,8-11,14-17H,2-4,6-7,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153358
PNG
(CHEMBL3775528)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1N)C(C)C(O)=O
Show InChI InChI=1S/C22H28N2O4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12,23H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 1.21E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153355
PNG
(CHEMBL3775676)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1O)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO5/c1-3-4-5-6-12-23-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)24)15(2)21(25)26/h7-11,13-15,24H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153442
PNG
(CHEMBL3774442)
Show SMILES CCCCCCOC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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n/an/a 1.49E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153359
PNG
(CHEMBL3774706)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@@H](C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153438
PNG
(CHEMBL3774873)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H12N2O2S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H3,10,11)
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n/an/a 2.88E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153369
PNG
(CHEMBL3774754)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C22H18FNO4/c1-14(21(25)26)15-10-11-19(20(23)13-15)16-6-5-9-18(12-16)28-22(27)24-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,27)(H,25,26)
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n/an/a 4.12E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153363
PNG
(CHEMBL3775954)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCC2)c1
Show InChI InChI=1S/C20H20FNO4/c1-12(19(23)24)13-8-9-17(18(21)11-13)14-4-2-7-16(10-14)26-20(25)22-15-5-3-6-15/h2,4,7-12,15H,3,5-6H2,1H3,(H,22,25)(H,23,24)
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n/an/a 4.87E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153364
PNG
(CHEMBL3774572)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CC2)c1
Show InChI InChI=1S/C19H18FNO4/c1-11(18(22)23)12-5-8-16(17(20)10-12)13-3-2-4-15(9-13)25-19(24)21-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,21,24)(H,22,23)
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n/an/a 7.43E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153441
PNG
(CHEMBL3775653)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 8.84E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153444
PNG
(CHEMBL3775360)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(=O)OC
Show InChI InChI=1S/C10H11N2O2P/c1-15(13,14)8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3,(H2,11,12)(H,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153440
PNG
(CHEMBL3775475)
Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H14NO2P/c1-10(2)8-4-6-9(7-5-8)13(3,11)12/h4-7H,1-3H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153447
PNG
(CHEMBL3774393)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(C)cc1F
Show InChI InChI=1S/C9H13N3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H3,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153371
PNG
(CHEMBL3775973)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C24H22FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153440
PNG
(CHEMBL3775475)
Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H14NO2P/c1-10(2)8-4-6-9(7-5-8)13(3,11)12/h4-7H,1-3H3,(H,11,12)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153368
PNG
(CHEMBL3774867)
Show SMILES CC(C)CNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-12(2)11-22-20(25)26-16-6-4-5-15(9-16)17-8-7-14(10-18(17)21)13(3)19(23)24/h4-10,12-13H,11H2,1-3H3,(H,22,25)(H,23,24)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153362
PNG
(CHEMBL3775699)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCCC2)c1
Show InChI InChI=1S/C21H22FNO4/c1-13(20(24)25)14-9-10-18(19(22)12-14)15-5-4-8-17(11-15)27-21(26)23-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,23,26)(H,24,25)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153370
PNG
(CHEMBL3775392)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C23H20FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153364
PNG
(CHEMBL3774572)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CC2)c1
Show InChI InChI=1S/C19H18FNO4/c1-11(18(22)23)12-5-8-16(17(20)10-12)13-3-2-4-15(9-13)25-19(24)21-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,21,24)(H,22,23)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153367
PNG
(CHEMBL3774781)
Show SMILES CC(C)NC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C19H20FNO4/c1-11(2)21-19(24)25-15-6-4-5-14(9-15)16-8-7-13(10-17(16)20)12(3)18(22)23/h4-12H,1-3H3,(H,21,24)(H,22,23)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153361
PNG
(CHEMBL3775462)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C22H24FNO4/c1-14(21(25)26)15-10-11-19(20(23)13-15)16-6-5-9-18(12-16)28-22(27)24-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,24,27)(H,25,26)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153374
PNG
(CHEMBL3774618)
Show SMILES CCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C18H18FNO4/c1-3-20-18(23)24-14-6-4-5-13(9-14)15-8-7-12(10-16(15)19)11(2)17(21)22/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50153375
PNG
(CHEMBL3774876)
Show SMILES CCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C19H20FNO4/c1-3-9-21-19(24)25-15-6-4-5-14(10-15)16-8-7-13(11-17(16)20)12(2)18(22)23/h4-8,10-12H,3,9H2,1-2H3,(H,21,24)(H,22,23)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153374
PNG
(CHEMBL3774618)
Show SMILES CCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C18H18FNO4/c1-3-20-18(23)24-14-6-4-5-13(9-14)15-8-7-12(10-16(15)19)11(2)17(21)22/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153376
PNG
(CHEMBL3774439)
Show SMILES CCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-3-4-10-22-20(25)26-16-7-5-6-15(11-16)17-9-8-14(12-18(17)21)13(2)19(23)24/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,25)(H,23,24)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153447
PNG
(CHEMBL3774393)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(C)cc1F
Show InChI InChI=1S/C9H13N3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H3,11,12)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


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

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153456
PNG
(CHEMBL3774999)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-2-3-4-5-11-22-20(25)26-16-8-6-7-14(12-16)17-10-9-15(19(23)24)13-18(17)21/h6-10,12-13H,2-5,11H2,1H3,(H,22,25)(H,23,24)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153445
PNG
(CHEMBL3775280)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)CO
Show InChI InChI=1S/C9H12N2O/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2,(H3,10,11)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153444
PNG
(CHEMBL3775360)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(=O)OC
Show InChI InChI=1S/C10H11N2O2P/c1-15(13,14)8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3,(H2,11,12)(H,13,14)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153439
PNG
(CHEMBL3775610)
Show SMILES CCCCCCNC(=O)Oc1ccccc1-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153456
PNG
(CHEMBL3774999)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-2-3-4-5-11-22-20(25)26-16-8-6-7-14(12-16)17-10-9-15(19(23)24)13-18(17)21/h6-10,12-13H,2-5,11H2,1H3,(H,22,25)(H,23,24)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153373
PNG
(CHEMBL3774805)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C26H26FNO4/c1-18(25(29)30)20-13-14-23(24(27)17-20)21-11-7-12-22(16-21)32-26(31)28-15-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-14,16-18H,5-6,10,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153365
PNG
(CHEMBL3774541)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCC2CCCCC2)c1
Show InChI InChI=1S/C23H26FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,25,28)(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153363
PNG
(CHEMBL3775954)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NC2CCC2)c1
Show InChI InChI=1S/C20H20FNO4/c1-12(19(23)24)13-8-9-17(18(21)11-13)14-4-2-7-16(10-14)26-20(25)22-15-5-3-6-15/h2,4,7-12,15H,3,5-6H2,1H3,(H,22,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153367
PNG
(CHEMBL3774781)
Show SMILES CC(C)NC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C19H20FNO4/c1-11(2)21-19(24)25-15-6-4-5-14(9-15)16-8-7-13(10-17(16)20)12(3)18(22)23/h4-12H,1-3H3,(H,21,24)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50153375
PNG
(CHEMBL3774876)
Show SMILES CCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C19H20FNO4/c1-3-9-21-19(24)25-15-6-4-5-14(10-15)16-8-7-13(11-17(16)20)12(2)18(22)23/h4-8,10-12H,3,9H2,1-2H3,(H,21,24)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%