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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'vivoli' and Initial = 'e'   
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))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072769
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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5.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225152
PNG
(1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-...)
Show SMILES O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c27-23-20-14-8-9-15-22(20)26(16-18-10-4-3-5-11-18)17-21(23)24(28)25-19-12-6-1-2-7-13-19/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,28)
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6.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225147
PNG
(1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydro-...)
Show SMILES COc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28)
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11n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225152
PNG
(1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-...)
Show SMILES O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c27-23-20-14-8-9-15-22(20)26(16-18-10-4-3-5-11-18)17-21(23)24(28)25-19-12-6-1-2-7-13-19/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,28)
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17n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225148
PNG
(CHEMBL250769 | N-cycloheptyl-1-(2-morpholinoethyl)...)
Show SMILES O=C(NC1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O
Show InChI InChI=1S/C23H31N3O3/c27-22-19-9-5-6-10-21(19)26(12-11-25-13-15-29-16-14-25)17-20(22)23(28)24-18-7-3-1-2-4-8-18/h5-6,9-10,17-18H,1-4,7-8,11-16H2,(H,24,28)
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28n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225157
PNG
(CHEMBL398446 | N-cyclohexyl-7-methoxy-1-(2-morphol...)
Show SMILES COc1ccc2c(c1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H31N3O4/c1-29-18-7-8-19-21(15-18)26(10-9-25-11-13-30-14-12-25)16-20(22(19)27)23(28)24-17-5-3-2-4-6-17/h7-8,15-17H,2-6,9-14H2,1H3,(H,24,28)
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79n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225156
PNG
(1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydroq...)
Show SMILES COc1ccc2c(c1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C24H26N2O3/c1-29-19-12-13-20-22(14-19)26(15-17-8-4-2-5-9-17)16-21(23(20)27)24(28)25-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,16,18H,3,6-7,10-11,15H2,1H3,(H,25,28)
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79n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225153
PNG
(CHEMBL400268 | N-cyclohexyl-7-(dimethylamino)-1-(2...)
Show SMILES CN(C)c1ccc2c(n1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H33N5O3/c1-26(2)20-9-8-18-21(29)19(23(30)24-17-6-4-3-5-7-17)16-28(22(18)25-20)11-10-27-12-14-31-15-13-27/h8-9,16-17H,3-7,10-15H2,1-2H3,(H,24,30)
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94n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072769
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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95n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225156
PNG
(1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydroq...)
Show SMILES COc1ccc2c(c1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C24H26N2O3/c1-29-19-12-13-20-22(14-19)26(15-17-8-4-2-5-9-17)16-21(23(20)27)24(28)25-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,16,18H,3,6-7,10-11,15H2,1H3,(H,25,28)
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170n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225148
PNG
(CHEMBL250769 | N-cycloheptyl-1-(2-morpholinoethyl)...)
Show SMILES O=C(NC1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O
Show InChI InChI=1S/C23H31N3O3/c27-22-19-9-5-6-10-21(19)26(12-11-25-13-15-29-16-14-25)17-20(22)23(28)24-18-7-3-1-2-4-8-18/h5-6,9-10,17-18H,1-4,7-8,11-16H2,(H,24,28)
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290n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225149
PNG
(5-benzyl-7-chloro-2-cyclohexyl-2H-pyrazolo[4,3-c]q...)
Show SMILES Clc1ccc2c3nn(C4CCCCC4)c(=O)c3cn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H22ClN3O/c24-17-11-12-19-21(13-17)26(14-16-7-3-1-4-8-16)15-20-22(19)25-27(23(20)28)18-9-5-2-6-10-18/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2
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560n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225147
PNG
(1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydro-...)
Show SMILES COc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28)
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560n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225154
PNG
(5-benzyl-2-cyclohexyl-2H-pyrazolo[4,3-c]quinolin-3...)
Show SMILES O=c1n(nc2c1cn(Cc1ccccc1)c1ccccc21)C1CCCCC1
Show InChI InChI=1S/C23H23N3O/c27-23-20-16-25(15-17-9-3-1-4-10-17)21-14-8-7-13-19(21)22(20)24-26(23)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18H,2,5-6,11-12,15H2
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620n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225154
PNG
(5-benzyl-2-cyclohexyl-2H-pyrazolo[4,3-c]quinolin-3...)
Show SMILES O=c1n(nc2c1cn(Cc1ccccc1)c1ccccc21)C1CCCCC1
Show InChI InChI=1S/C23H23N3O/c27-23-20-16-25(15-17-9-3-1-4-10-17)21-14-8-7-13-19(21)22(20)24-26(23)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18H,2,5-6,11-12,15H2
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790n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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840n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225149
PNG
(5-benzyl-7-chloro-2-cyclohexyl-2H-pyrazolo[4,3-c]q...)
Show SMILES Clc1ccc2c3nn(C4CCCCC4)c(=O)c3cn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H22ClN3O/c24-17-11-12-19-21(13-17)26(14-16-7-3-1-4-8-16)15-20-22(19)25-27(23(20)28)18-9-5-2-6-10-18/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2
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1.64E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.64E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225155
PNG
(5-(2-morpholinoethyl)-2-phenyl-2H-pyrazolo[4,3-c]q...)
Show SMILES O=c1n(nc2c1cn(CCN1CCOCC1)c1ccccc21)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c27-22-19-16-25(11-10-24-12-14-28-15-13-24)20-9-5-4-8-18(20)21(19)23-26(22)17-6-2-1-3-7-17/h1-9,16H,10-15H2
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2.28E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225155
PNG
(5-(2-morpholinoethyl)-2-phenyl-2H-pyrazolo[4,3-c]q...)
Show SMILES O=c1n(nc2c1cn(CCN1CCOCC1)c1ccccc21)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c27-22-19-16-25(11-10-24-12-14-28-15-13-24)20-9-5-4-8-18(20)21(19)23-26(22)17-6-2-1-3-7-17/h1-9,16H,10-15H2
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2.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225157
PNG
(CHEMBL398446 | N-cyclohexyl-7-methoxy-1-(2-morphol...)
Show SMILES COc1ccc2c(c1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H31N3O4/c1-29-18-7-8-19-21(15-18)26(10-9-25-11-13-30-14-12-25)16-20(22(19)27)23(28)24-17-5-3-2-4-6-17/h7-8,15-17H,2-6,9-14H2,1H3,(H,24,28)
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2.92E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225153
PNG
(CHEMBL400268 | N-cyclohexyl-7-(dimethylamino)-1-(2...)
Show SMILES CN(C)c1ccc2c(n1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H33N5O3/c1-26(2)20-9-8-18-21(29)19(23(30)24-17-6-4-3-5-7-17)16-28(22(18)25-20)11-10-27-12-14-31-15-13-27/h8-9,16-17H,3-7,10-15H2,1-2H3,(H,24,30)
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>5.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225151
PNG
(2-cyclohexyl-5-(2-morpholinoethyl)-2H-pyrazolo[4,3...)
Show SMILES O=c1n(nc2c1cn(CCN1CCOCC1)c1ccccc21)C1CCCCC1
Show InChI InChI=1S/C22H28N4O2/c27-22-19-16-25(11-10-24-12-14-28-15-13-24)20-9-5-4-8-18(20)21(19)23-26(22)17-6-2-1-3-7-17/h4-5,8-9,16-17H,1-3,6-7,10-15H2
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>5.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225150
PNG
(7-amino-1-benzyl-N-cyclohexyl-4-oxo-1,4-dihydro-1,...)
Show SMILES Nc1ccc2c(n1)n(Cc1ccccc1)c(cc2=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24N4O2/c23-20-12-11-17-19(27)13-18(22(28)24-16-9-5-2-6-10-16)26(21(17)25-20)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16H,2,5-6,9-10,14H2,(H2,23,25)(H,24,28)
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5.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225151
PNG
(2-cyclohexyl-5-(2-morpholinoethyl)-2H-pyrazolo[4,3...)
Show SMILES O=c1n(nc2c1cn(CCN1CCOCC1)c1ccccc21)C1CCCCC1
Show InChI InChI=1S/C22H28N4O2/c27-22-19-16-25(11-10-24-12-14-28-15-13-24)20-9-5-4-8-18(20)21(19)23-26(22)17-6-2-1-3-7-17/h4-5,8-9,16-17H,1-3,6-7,10-15H2
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>7.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225150
PNG
(7-amino-1-benzyl-N-cyclohexyl-4-oxo-1,4-dihydro-1,...)
Show SMILES Nc1ccc2c(n1)n(Cc1ccccc1)c(cc2=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24N4O2/c23-20-12-11-17-19(27)13-18(22(28)24-16-9-5-2-6-10-16)26(21(17)25-20)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16H,2,5-6,9-10,14H2,(H2,23,25)(H,24,28)
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7.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224129
PNG
(CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224118
PNG
(CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224128
PNG
(CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224122
PNG
(CHEMBL398382 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-12-21(13-7-17)30(4,26)27)24(16(18)2)19-8-10-20(28-3)11-9-19/h6-14H,5,15H2,1-4H3
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n/an/a 26n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 60n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224113
PNG
(CHEMBL237811 | ethyl-2-Methyl-1-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-7-18(23)8-6-16)24(15(17)2)19-9-11-20(12-10-19)29(3,26)27/h5-13H,4,14H2,1-3H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 540n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-induced monocyte assessed as PGE2 production in human whole blood


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224124
PNG
(CHEMBL237813 | ethyl-2-methyl-1-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(OC)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-10-20(28-3)11-7-17)24(16(18)2)19-8-12-21(13-9-19)30(4,26)27/h6-14H,5,15H2,1-4H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224125
PNG
(CHEMBL393159 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13H,4H2,1-3H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224114
PNG
(CHEMBL441132 | Ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H23NO6S/c1-5-30-23(26)22(25)20-14-21(16-6-12-19(13-7-16)31(4,27)28)24(15(20)2)17-8-10-18(29-3)11-9-17/h6-14H,5H2,1-4H3
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n/an/a 940n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224127
PNG
(CHEMBL398384 | ethyl-2-methyl-1-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-6-16(2)7-9-18)24(17(19)3)20-10-12-21(13-11-20)29(4,26)27/h6-14H,5,15H2,1-4H3
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n/an/a 1.96E+3n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50224118
PNG
(CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-induced monocyte assessed as PGE2 production in human whole blood


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224126
PNG
(CHEMBL398383 | Ehyl-2-methyl-1-[4-(methylsulfonyl)...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)13-16-12-21(15-5-10-19(23)20(24)11-15)25(14(16)2)17-6-8-18(9-7-17)30(3,27)28/h5-12H,4,13H2,1-3H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224119
PNG
(CHEMBL391113 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H19F2NO5S/c1-4-30-22(27)21(26)17-12-20(14-5-8-16(9-6-14)31(3,28)29)25(13(17)2)15-7-10-18(23)19(24)11-15/h5-12H,4H2,1-3H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50224117
PNG
(CHEMBL438147 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-5-11-18(12-6-15)30(3,27)28)24(14(19)2)17-9-7-16(23)8-10-17/h5-13H,4H2,1-3H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
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