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PubMed code 19053765

Compile data set for download or QSAR
Found 15 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50054470
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid 4-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)28-24-25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)/b7-6-,10-9-,13-12-,16-15-
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100n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50054470
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid 4-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)28-24-25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)/b7-6-,10-9-,13-12-,16-15-
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200n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50246638
PNG
(CHEMBL472897 | N-(1H-indazol-5-yl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
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300n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50246638
PNG
(CHEMBL472897 | N-(1H-indazol-5-yl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
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1.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50246639
PNG
(CHEMBL472898 | N-(4-hydroxy-3-methoxyphenyl)icosa-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-24-21-22-25(29)26(23-24)31-2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)/b8-7-,11-10-,14-13-,17-16-
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1.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50054471
PNG
((5Z,8Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
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1.30E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50246639
PNG
(CHEMBL472898 | N-(4-hydroxy-3-methoxyphenyl)icosa-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-24-21-22-25(29)26(23-24)31-2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)/b8-7-,11-10-,14-13-,17-16-
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1.40E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50054471
PNG
((5Z,8Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
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1.50E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50246684
PNG
(CHEMBL503641 | N-(1H-indazol-5-yl)acetamide)
Show SMILES CC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
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n/an/a 1.07E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50246684
PNG
(CHEMBL503641 | N-(1H-indazol-5-yl)acetamide)
Show SMILES CC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
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n/an/a 1.07E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50246685
PNG
(CHEMBL498882 | N-(4-hydroxy-3-methoxyphenyl)acetam...)
Show SMILES COc1cc(NC(C)=O)ccc1O
Show InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
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n/an/a 1.38E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50246685
PNG
(CHEMBL498882 | N-(4-hydroxy-3-methoxyphenyl)acetam...)
Show SMILES COc1cc(NC(C)=O)ccc1O
Show InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
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n/an/a 1.38E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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n/an/a 1.41E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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n/an/a 1.41E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50246685
PNG
(CHEMBL498882 | N-(4-hydroxy-3-methoxyphenyl)acetam...)
Show SMILES COc1cc(NC(C)=O)ccc1O
Show InChI InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
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n/an/a 2.34E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 1 in human whole blood assessed as thromboxane B2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%