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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'pastoureau' and Initial = 'p'   
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 2


(Homo sapiens (Human))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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n/an/a 0.0800n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 2 in human blood (95% confidence limits)


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)|
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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n/an/a 0.120n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 2 in human blood (95% confidence limits)


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)|
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 0.700n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094542
PNG
(1,3-Diphenyl-2,4,5,6-tetrahydro-cyclopenta[c]pyrro...)
Show SMILES C1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)19(20-18)15-10-5-2-6-11-15/h1-6,8-11,20H,7,12-13H2
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n/an/a 0.700n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 1 in human blood


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094540
PNG
(1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole | CHE...)
Show SMILES C1CCc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
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n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094546
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...)
Show SMILES C1CC2CCC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 |(14.74,-30.53,;13.2,-30.52,;12.42,-31.84,;13.75,-31.06,;14.15,-32.63,;15.49,-31.87,;14.71,-33.19,;15.19,-34.65,;13.94,-35.55,;12.69,-34.64,;13.18,-33.17,;11.23,-35.11,;10.08,-34.06,;8.61,-34.53,;8.28,-36.04,;9.44,-37.08,;10.9,-36.61,;16.65,-35.13,;16.96,-36.64,;18.43,-37.13,;19.58,-36.1,;19.26,-34.58,;17.8,-34.11,)|
Show InChI InChI=1S/C22H21N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2
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n/an/a 1.60n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094563
PNG
(1,3-Di-p-tolyl-4,5,6,7-tetrahydro-2H-isoindole | 1...)
Show SMILES Cc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(C)cc1
Show InChI InChI=1S/C22H23N/c1-15-7-11-17(12-8-15)21-19-5-3-4-6-20(19)22(23-21)18-13-9-16(2)10-14-18/h7-14,23H,3-6H2,1-2H3
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n/an/a 1.67n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094534
PNG
(1,3-Bis-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17F2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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n/an/a 1.70n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094532
PNG
(1,3-Diphenyl-4,5,6,7-tetrahydro-isoindol-2-ylamine...)
Show SMILES Nn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2
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n/an/a 1.80n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094558
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.1.0*2,6*]deca-2,5-...)
Show SMILES C1CC2CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N/c1-3-7-14(8-4-1)20-18-16-11-12-17(13-16)19(18)21(22-20)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094548
PNG
(1,3-Bis-(4-fluoro-phenyl)-2,4,5,6-tetrahydro-cyclo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N/c20-14-8-4-12(5-9-14)18-16-2-1-3-17(16)19(22-18)13-6-10-15(21)11-7-13/h4-11,22H,1-3H2
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n/an/a 2.90n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094528
PNG
(5,6-Dimethyl-1,3-diphenyl-4,5,6,7-tetrahydro-2H-is...)
Show SMILES CC1Cc2c(CC1C)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,15-16,23H,13-14H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094535
PNG
(1,3-diphenyl-4,7-dihydro-2H-isoindole | CHEMBL1408...)
Show SMILES C1C=CCc2c1c([nH]c2-c1ccccc1)-c1ccccc1 |c:1|
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-12,21H,13-14H2
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n/an/a 3.30n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094561
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CC(C=C3)c12)-c1ccc(F)cc1 |c:15|
Show InChI InChI=1S/C21H15F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h1-10,14-15,24H,11H2
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n/an/a 4.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094541
PNG
(1,3-Bis-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Clc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17Cl2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 9.30n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094545
PNG
(5,6-Diphenyl-2,3-dihydro-1H-pyrrolizine | CHEMBL34...)
Show SMILES C1Cc2cc(c(-c3ccccc3)n2C1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-15(9-4-1)18-14-17-12-7-13-20(17)19(18)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
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n/an/a 10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094536
PNG
(1,3-Diphenyl-2,3-dihydro-1H-isoindole | CHEMBL1412...)
Show SMILES N1[C@@H](c2ccccc2[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14,19-21H/t19-,20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094552
PNG
(1,3-Diphenyl-benzo[c]thiophene | CHEMBL143653)
Show SMILES c1ccc(cc1)-c1sc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H14S/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094555
PNG
(5,6-Dimethyl-1,3-diphenyl-4,7-dihydro-2H-isoindole...)
Show SMILES CC1=C(C)Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1 |c:1|
Show InChI InChI=1S/C22H21N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,23H,13-14H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094549
PNG
(1,3-Bis-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-i...)
Show SMILES COc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H23NO2/c1-24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(23-21)16-9-13-18(25-2)14-10-16/h7-14,23H,3-6H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094557
PNG
(6,7-Diphenyl-2,3-dihydro-1H-pyrrolizine | CHEMBL34...)
Show SMILES C1Cc2c(c(cn2C1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-15(9-4-1)17-14-20-13-7-12-18(20)19(17)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)|
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 1 in human blood


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094559
PNG
(1,3-Diphenyl-2,3-dihydro-1H-isoindole | CHEMBL1400...)
Show SMILES N1C(c2ccccc2C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14,19-21H
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n/an/a 32.4n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094550
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...)
Show SMILES C1CC2C=CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 |c:3|
Show InChI InChI=1S/C22H19N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-11,13,15-16,23H,12,14H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094537
PNG
(1-(4-(1H-imidazol-1-yl)phenyl)-3-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C23H20FN3/c24-18-9-5-16(6-10-18)22-20-3-1-2-4-21(20)23(26-22)17-7-11-19(12-8-17)27-14-13-25-15-27/h5-15,26H,1-4H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094543
PNG
(5,7-Diphenyl-2,3-dihydro-1H-pyrrolizine | CHEMBL14...)
Show SMILES C1Cc2c(cc(-c3ccccc3)n2C1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-15(9-4-1)17-14-19(16-10-5-2-6-11-16)20-13-7-12-18(17)20/h1-6,8-11,14H,7,12-13H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094531
PNG
(1N-methyl-2-fluoro-5-[5-(4-fluoro-3-methylaminophe...)
Show SMILES CNc1cc(ccc1F)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)c(NC)c1
Show InChI InChI=1S/C23H23F2N3/c1-26-18-10-14(5-7-16(18)24)22-20-12-3-4-13(9-12)21(20)23(28-22)15-6-8-17(25)19(11-15)27-2/h5-8,10-13,26-28H,3-4,9H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094530
PNG
(5,6-Dichloro-1,3-diphenyl-2,3-dihydro-1H-isoindole...)
Show SMILES Clc1cc2C(NC(c2cc1Cl)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H15Cl2N/c21-17-11-15-16(12-18(17)22)20(14-9-5-2-6-10-14)23-19(15)13-7-3-1-4-8-13/h1-12,19-20,23H
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094535
PNG
(1,3-diphenyl-4,7-dihydro-2H-isoindole | CHEMBL1408...)
Show SMILES C1C=CCc2c1c([nH]c2-c1ccccc1)-c1ccccc1 |c:1|
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-12,21H,13-14H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094540
PNG
(1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole | CHE...)
Show SMILES C1CCc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094534
PNG
(1,3-Bis-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17F2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094529
PNG
(2-Benzyl-4,6-diphenyl-1,2,3,5-tetrahydro-pyrrolo[3...)
Show SMILES C(N1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2/c1-4-10-19(11-5-1)16-27-17-22-23(18-27)25(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,26H,16-18H2
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Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094544
PNG
((1,3-Diphenyl-4,5,6,7-tetrahydro-isoindol-2-yl)-ac...)
Show SMILES OC(=O)Cn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21NO2/c24-20(25)15-23-21(16-9-3-1-4-10-16)18-13-7-8-14-19(18)22(23)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,24,25)
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Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094548
PNG
(1,3-Bis-(4-fluoro-phenyl)-2,4,5,6-tetrahydro-cyclo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N/c20-14-8-4-12(5-9-14)18-16-2-1-3-17(16)19(22-18)13-6-10-15(21)11-7-13/h4-11,22H,1-3H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094553
PNG
(1,3-Bis-(4-imidazol-1-yl-phenyl)-4,5,6,7-tetrahydr...)
Show SMILES C1CCc2c(C1)c([nH]c2-c1ccc(cc1)-n1ccnc1)-c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C26H23N5/c1-2-4-24-23(3-1)25(19-5-9-21(10-6-19)30-15-13-27-17-30)29-26(24)20-7-11-22(12-8-20)31-16-14-28-18-31/h5-18,29H,1-4H2
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Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094555
PNG
(5,6-Dimethyl-1,3-diphenyl-4,7-dihydro-2H-isoindole...)
Show SMILES CC1=C(C)Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1 |c:1|
Show InChI InChI=1S/C22H21N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,23H,13-14H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094538
PNG
(4,6-Diphenyl-1,2,3,5-tetrahydro-pyrrolo[3,4-c]pyrr...)
Show SMILES C1NCc2c1c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H16N2/c1-3-7-13(8-4-1)17-15-11-19-12-16(15)18(20-17)14-9-5-2-6-10-14/h1-10,19-20H,11-12H2
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Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094558
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.1.0*2,6*]deca-2,5-...)
Show SMILES C1CC2CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N/c1-3-7-14(8-4-1)20-18-16-11-12-17(13-16)19(18)21(22-20)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094560
PNG
(CHEMBL337601 | N-{5-[5-(3-Acetylamino-4-fluoro-phe...)
Show SMILES CC(=O)Nc1cc(ccc1F)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)c(NC(C)=O)c1
Show InChI InChI=1S/C25H23F2N3O2/c1-12(31)28-20-10-16(5-7-18(20)26)24-22-14-3-4-15(9-14)23(22)25(30-24)17-6-8-19(27)21(11-17)29-13(2)32/h5-8,10-11,14-15,30H,3-4,9H2,1-2H3,(H,28,31)(H,29,32)
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094564
PNG
(3,5-di(4-pyridyl)-4-azatricyclo[5.2.1.02,6]deca-2,...)
Show SMILES C1CC2CC1c1c2c([nH]c1-c1ccncc1)-c1ccncc1
Show InChI InChI=1S/C19H17N3/c1-2-15-11-14(1)16-17(15)19(13-5-9-21-10-6-13)22-18(16)12-3-7-20-8-4-12/h3-10,14-15,22H,1-2,11H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50094565
PNG
(1,3-Bis-(4-fluoro-phenyl)-2,3-dihydro-1H-isoindole...)
Show SMILES Fc1ccc(cc1)C1NC(c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H15F2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h1-12,19-20,23H
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)|
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094542
PNG
(1,3-Diphenyl-2,4,5,6-tetrahydro-cyclopenta[c]pyrro...)
Show SMILES C1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)19(20-18)15-10-5-2-6-11-15/h1-6,8-11,20H,7,12-13H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094546
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...)
Show SMILES C1CC2CCC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 |(14.74,-30.53,;13.2,-30.52,;12.42,-31.84,;13.75,-31.06,;14.15,-32.63,;15.49,-31.87,;14.71,-33.19,;15.19,-34.65,;13.94,-35.55,;12.69,-34.64,;13.18,-33.17,;11.23,-35.11,;10.08,-34.06,;8.61,-34.53,;8.28,-36.04,;9.44,-37.08,;10.9,-36.61,;16.65,-35.13,;16.96,-36.64,;18.43,-37.13,;19.58,-36.1,;19.26,-34.58,;17.8,-34.11,)|
Show InChI InChI=1S/C22H21N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50094561
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CC(C=C3)c12)-c1ccc(F)cc1 |c:15|
Show InChI InChI=1S/C21H15F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h1-10,14-15,24H,11H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
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