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Patent code US9630914

Compile Data Set for Download or QSAR
Found 86 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))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 0.0100n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153438
PNG
(CHEMBL3774873 | US9630914, Example 14)
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 2.60n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153445
PNG
(CHEMBL3775280 | US9630914, Example 15)
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 3.30n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153438
PNG
(CHEMBL3774873 | US9630914, Example 14)
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 4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153379
PNG
(CHEMBL3775979 | US9630914, Example 13)
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 6n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 8.60n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153366
PNG
(CHEMBL3774467 | US9630914, Example 5)
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 9n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153445
PNG
(CHEMBL3775280 | US9630914, Example 15)
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 9.10n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 9.40n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 9.70n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 9.90n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 10n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 10n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153379
PNG
(CHEMBL3775979 | US9630914, Example 13)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153373
PNG
(CHEMBL3774805 | US9630914, Example 9)
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 13n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153446
PNG
(CHEMBL3775770 | US9630914, Example 16)
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 16n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153366
PNG
(CHEMBL3774467 | US9630914, Example 5)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153377
PNG
(CHEMBL3775104 | US9630914, Example 11)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153372
PNG
(CHEMBL3774586 | US9630914, Example 8)
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 22n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153373
PNG
(CHEMBL3774805 | US9630914, Example 9)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153442
PNG
(CHEMBL3774442 | US9630914, Example 18)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153446
PNG
(CHEMBL3775770 | US9630914, Example 16)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153371
PNG
(CHEMBL3775973 | US9630914, Example 7)
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 70n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153372
PNG
(CHEMBL3774586 | US9630914, Example 8)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153377
PNG
(CHEMBL3775104 | US9630914, Example 11)
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 92n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153366
PNG
(CHEMBL3774467 | US9630914, Example 5)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153377
PNG
(CHEMBL3775104 | US9630914, Example 11)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153371
PNG
(CHEMBL3775973 | US9630914, Example 7)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153442
PNG
(CHEMBL3774442 | US9630914, Example 18)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153446
PNG
(CHEMBL3775770 | US9630914, Example 16)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153376
PNG
(CHEMBL3774439 | US9630914, Example 10)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153365
PNG
(CHEMBL3774541 | US9630914, Example 4)
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 280n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153379
PNG
(CHEMBL3775979 | US9630914, Example 13)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153365
PNG
(CHEMBL3774541 | US9630914, Example 4)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153379
PNG
(CHEMBL3775979 | US9630914, Example 13)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153377
PNG
(CHEMBL3775104 | US9630914, Example 11)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153372
PNG
(CHEMBL3774586 | US9630914, Example 8)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153365
PNG
(CHEMBL3774541 | US9630914, Example 4)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153439
PNG
(CHEMBL3775610 | US9630914, Example 17)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153439
PNG
(CHEMBL3775610 | US9630914, Example 17)
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 740n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153438
PNG
(CHEMBL3774873 | US9630914, Example 14)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(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 1.04E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153445
PNG
(CHEMBL3775280 | US9630914, Example 15)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153370
PNG
(CHEMBL3775392 | US9630914, Example 6)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153376
PNG
(CHEMBL3774439 | US9630914, Example 10)
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 1.50E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153368
PNG
(CHEMBL3774867 | US9630914, Example 3)
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 1.60E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153361
PNG
(CHEMBL3775462 | US9630914, Example 1)
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 1.80E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153362
PNG
(CHEMBL3775699 | US9630914, Example 2)
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 1.80E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153446
PNG
(CHEMBL3775770 | US9630914, Example 16)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153439
PNG
(CHEMBL3775610 | US9630914, Example 17)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153373
PNG
(CHEMBL3774805 | US9630914, Example 9)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153370
PNG
(CHEMBL3775392 | US9630914, Example 6)
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 4.20E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153362
PNG
(CHEMBL3775699 | US9630914, Example 2)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153362
PNG
(CHEMBL3775699 | US9630914, Example 2)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153368
PNG
(CHEMBL3774867 | US9630914, Example 3)
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 5.60E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153372
PNG
(CHEMBL3774586 | US9630914, Example 8)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153371
PNG
(CHEMBL3775973 | US9630914, Example 7)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153376
PNG
(CHEMBL3774439 | US9630914, Example 10)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153370
PNG
(CHEMBL3775392 | US9630914, Example 6)
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 7.20E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153361
PNG
(CHEMBL3775462 | US9630914, Example 1)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153368
PNG
(CHEMBL3774867 | US9630914, Example 3)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153361
PNG
(CHEMBL3775462 | US9630914, Example 1)
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; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153366
PNG
(CHEMBL3774467 | US9630914, Example 5)
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 1.10E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 1.30E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase (FAAH)


(Rattus norvegicus (rat))
BDBM50153442
PNG
(CHEMBL3774442 | US9630914, Example 18)
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 1.50E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153442
PNG
(CHEMBL3774442 | US9630914, Example 18)
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 2.10E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153438
PNG
(CHEMBL3774873 | US9630914, Example 14)
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 2.90E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
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 5.40E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(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>1.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153368
PNG
(CHEMBL3774867 | US9630914, Example 3)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153371
PNG
(CHEMBL3775973 | US9630914, Example 7)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153445
PNG
(CHEMBL3775280 | US9630914, Example 15)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153365
PNG
(CHEMBL3774541 | US9630914, Example 4)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153370
PNG
(CHEMBL3775392 | US9630914, Example 6)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153439
PNG
(CHEMBL3775610 | US9630914, Example 17)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153362
PNG
(CHEMBL3775699 | US9630914, Example 2)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153361
PNG
(CHEMBL3775462 | US9630914, Example 1)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153376
PNG
(CHEMBL3774439 | US9630914, Example 10)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50153373
PNG
(CHEMBL3774805 | US9630914, Example 9)
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>3.00E+7n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%