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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 359.3
BDBM50153376
Wt: 373.4
BDBM50153377
Wt: 387.4
BDBM50153378
Wt: 401.4
BDBM50153379
Wt: 387.4
BDBM50153439
Purchase
Wt: 385.4
BDBM50153361
Wt: 371.4
BDBM50153362
Wt: 399.4
BDBM50153365
Wt: 413.4
BDBM50153366
Wt: 387.4
BDBM50153442
Purchase
Wt: 373.4
BDBM50153445
Purchase
Wt: 373.4
BDBM50153446
Wt: 359.3
BDBM50153368
Wt: 393.4
BDBM50153370
Wt: 407.4
BDBM50153371
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 116 hits in this display   
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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US Patent
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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

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US Patent
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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
US Patent
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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
Anandamide amidohydrolase


(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

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 | 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

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))
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
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
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

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 | 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

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
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


(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

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 (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
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))
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 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

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 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
Cyclooxygenase


(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

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 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
Cyclooxygenase


(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

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 (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
Anandamide amidohydrolase


(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

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))
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

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 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
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

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
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
Cyclooxygenase


(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

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 | 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

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 (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

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))
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
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