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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'norcini' and Initial = 'm'   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221887
PNG
(1,1-dimethyl-2-quinolin-6-yl-pyrrolidinium iodide ...)
Show SMILES C[N+]1(C)CCCC1c1ccc2ncccc2c1 |w:6.7|
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1
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45n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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124n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221884
PNG
(CHEMBL243666 | rac-6-(1-methylpyrrolidin-2-yl)quin...)
Show SMILES CN1CCCC1c1ccc2ncccc2c1 |w:5.6|
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3
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132n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
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142n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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220n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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450n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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1.57E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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1.95E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
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6.80E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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8.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262934
PNG
(CHEMBL477362 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H25NO3S/c1-4-26-15-14-19-16-22(18-10-12-21(13-11-18)27(3,24)25)23(17(19)2)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262933
PNG
(CHEMBL451358 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FNO3S/c1-15-17(12-13-26-2)14-21(23(15)19-8-6-18(22)7-9-19)16-4-10-20(11-5-16)27(3,24)25/h4-11,14H,12-13H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262990
PNG
(CHEMBL517675 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H27NO3S/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262992
PNG
(CHEMBL479054 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H26FNO3S/c1-4-14-28-15-13-19-16-23(18-5-11-22(12-6-18)29(3,26)27)25(17(19)2)21-9-7-20(24)8-10-21/h5-12,16H,4,13-15H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166278
PNG
(CHEMBL191941 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)15-18-14-21(17-10-12-20(13-11-17)28(3,25)26)23(16(18)2)19-8-6-5-7-9-19/h5-14H,4,15H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262989
PNG
(CHEMBL476536 | [3-(2-Ethoxyethyl)-1-(4-Fluoro)phen...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3S/c1-4-27-14-13-18-15-22(17-5-11-21(12-6-17)28(3,25)26)24(16(18)2)20-9-7-19(23)8-10-20/h5-12,15H,4,13-14H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262931
PNG
(CHEMBL516289 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C21H23NO3S/c1-16-18(13-14-25-2)15-21(22(16)19-7-5-4-6-8-19)17-9-11-20(12-10-17)26(3,23)24/h4-12,15H,13-14H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262932
PNG
(CHEMBL478415 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO3S/c1-15-17(12-13-29-2)14-21(16-4-10-20(11-5-16)30(3,27)28)26(15)19-8-6-18(7-9-19)22(23,24)25/h4-11,14H,12-13H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
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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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166281
PNG
(CHEMBL192789 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO4S/c1-4-31-22(28)14-17-13-21(16-5-11-20(12-6-16)32(3,29)30)27(15(17)2)19-9-7-18(8-10-19)23(24,25)26/h5-13H,4,14H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253541
PNG
((-)-(R)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-m...)
Show SMILES CCOC(=O)[C@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H22FNO5S/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/h5-13,21,25H,4H2,1-3H3/t21-/m1/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253543
PNG
((+)-(S)-Ethyl-[2-hydroxy-2-[1-(4-methoxy)phenyl-2-...)
Show SMILES CCOC(=O)[C@@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H25NO6S/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/h6-14,22,25H,5H2,1-4H3/t22-/m0/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262935
PNG
(CHEMBL515478 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3NO3S/c1-4-30-14-13-18-15-22(17-5-11-21(12-6-17)31(3,28)29)27(16(18)2)20-9-7-19(8-10-20)23(24,25)26/h5-12,15H,4,13-14H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253627
PNG
((-)-(R)-Ethyl-[2-ethoxy-2-[1-(4-methoxy)phenyl-2-m...)
Show SMILES CCO[C@@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C25H29NO6S/c1-6-31-24(25(27)32-7-2)22-16-23(18-8-14-21(15-9-18)33(5,28)29)26(17(22)3)19-10-12-20(30-4)13-11-19/h8-16,24H,6-7H2,1-5H3/t24-/m1/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253569
PNG
((+/-)-Ethyl-[2-ethoxy-2-[1-(3-fluoro)phenyl-2-meth...)
Show SMILES CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C24H26FNO5S/c1-5-30-23(24(27)31-6-2)21-15-22(17-10-12-20(13-11-17)32(4,28)29)26(16(21)3)19-9-7-8-18(25)14-19/h7-15,23H,5-6H2,1-4H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253567
PNG
((+)-(S)-Ethyl-[2-ethoxy-2-[-2-methyl-5-(4-methylsu...)
Show SMILES CCO[C@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27NO5S/c1-5-29-23(24(26)30-6-2)21-16-22(18-12-14-20(15-13-18)31(4,27)28)25(17(21)3)19-10-8-7-9-11-19/h7-16,23H,5-6H2,1-4H3/t23-/m0/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50262991
PNG
(CHEMBL479053 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO3S/c1-4-14-31-15-13-19-16-23(18-5-11-22(12-6-18)32(3,29)30)28(17(19)2)21-9-7-20(8-10-21)24(25,26)27/h5-12,16H,4,13-15H2,1-3H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253489
PNG
((+/-)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-met...)
Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C22H22FNO5S/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/h5-13,21,25H,4H2,1-3H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253542
PNG
((+/-)-Ethyl-[2-hydroxy-2-[1-(4-methoxy)phenyl-2-me...)
Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25NO6S/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/h6-14,22,25H,5H2,1-4H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253601
PNG
(CHEMBL493297 | Ethyl-[2-ethoxy-2-[1-(4-methoxy)phe...)
Show SMILES CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H29NO6S/c1-6-31-24(25(27)32-7-2)22-16-23(18-8-14-21(15-9-18)33(5,28)29)26(17(22)3)19-10-12-20(30-4)13-11-19/h8-16,24H,6-7H2,1-5H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253602
PNG
((+)-(S)-Ethyl-[2-ethoxy-2-[1-(4-methoxy)phenyl-2-m...)
Show SMILES CCO[C@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C25H29NO6S/c1-6-31-24(25(27)32-7-2)22-16-23(18-8-14-21(15-9-18)33(5,28)29)26(17(22)3)19-10-12-20(30-4)13-11-19/h8-16,24H,6-7H2,1-5H3/t24-/m0/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253568
PNG
((-)-(R)-Ethyl-[2-ethoxy-2-[-2-methyl-5-(4-methylsu...)
Show SMILES CCO[C@@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27NO5S/c1-5-29-23(24(26)30-6-2)21-16-22(18-12-14-20(15-13-18)31(4,27)28)25(17(21)3)19-10-8-7-9-11-19/h7-16,23H,5-6H2,1-4H3/t23-/m1/s1
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Università La Sapienza

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Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253488
PNG
((-)-(R)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsu...)
Show SMILES CCOC(=O)[C@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3/t21-/m1/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253544
PNG
((-)-(R)-Ethyl-[2-hydroxy-2-[1-(4-methoxy)phenyl-2-...)
Show SMILES CCOC(=O)[C@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H25NO6S/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/h6-14,22,25H,5H2,1-4H3/t22-/m1/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253487
PNG
((+)-(S)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsu...)
Show SMILES CCOC(=O)[C@@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3/t21-/m0/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253566
PNG
((+/-)-Ethyl-[2-ethoxy-2-[-2-methyl-5-(4-methylsulf...)
Show SMILES CCOC(C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C24H27NO5S/c1-5-29-23(24(26)30-6-2)21-16-22(18-12-14-20(15-13-18)31(4,27)28)25(17(21)3)19-10-8-7-9-11-19/h7-16,23H,5-6H2,1-4H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253599
PNG
((+)-(S)-Ethyl-[2-ethoxy-2-[1-(3-fluoro)phenyl-2-me...)
Show SMILES CCO[C@H](C(=O)OCC)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H26FNO5S/c1-5-30-23(24(27)31-6-2)21-15-22(17-10-12-20(13-11-17)32(4,28)29)26(16(21)3)19-9-7-8-18(25)14-19/h7-15,23H,5-6H2,1-4H3/t23-/m0/s1
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50253352
PNG
((+/-)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsulf...)
Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3
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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166276
PNG
(CHEMBL363398 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-12-21(13-9-18)29(4,26)27)24(17(19)3)20-10-6-16(2)7-11-20/h6-14H,5,15H2,1-4H3
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Universita di Siena

Curated by ChEMBL


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


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
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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Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on thrombin-induced TXB2 production


J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
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