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Compile Data Set for Download or QSAR

Found 30 hits from Dr HS Gour University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-2 (COX-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
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 0.601n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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 0.701n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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
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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a 2.60n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094535
PNG
(1,3-diphenyl-4,7-dihydro-2H-isoindole | CHEMBL1408...)
Show SMILES C1C=CCc2c1c([nH]c2-c1ccccc1)-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/h1-12,21H,13-14H2
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n/an/a 3.30n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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
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 4.51n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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
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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n/an/a 14.5n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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 16.7n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a 21.3n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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
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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n/an/a 35.6n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a 42.1n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a>100n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a>100n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a>100n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a>100n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a>100n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-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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n/an/a>100n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094547
PNG
(1,3-Bis-(4-methylsulfanyl-phenyl)-4,5,6,7-tetrahyd...)
Show SMILES CSc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(SC)cc1
Show InChI InChI=1S/C22H23NS2/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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n/an/a 500n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094556
PNG
(CHEMBL140171 | N-(1,3-Diphenyl-4,5,6,7-tetrahydro-...)
Show SMILES CS(=O)(=O)Nn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H22N2O2S/c1-26(24,25)22-23-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)21(23)17-12-6-3-7-13-17/h2-7,10-13,22H,8-9,14-15H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094562
PNG
(3-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FNO2S/c1-27(25,26)18-10-6-14(7-11-18)22-20-16-3-2-15(12-16)19(20)21(24-22)13-4-8-17(23)9-5-13/h4-11,15-16,24H,2-3,12H2,1H3
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n/an/a 701n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094554
PNG
(2-methyl-1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoind...)
Show SMILES Cn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H21N/c1-22-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)21(22)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094533
PNG
(2,5,6-trimethyl-1,3-diphenyl-4,7-dihydro-2H-isoind...)
Show SMILES CC1=C(C)Cc2c(C1)c(-c1ccccc1)n(C)c2-c1ccccc1
Show InChI InChI=1S/C23H23N/c1-16-14-20-21(15-17(16)2)23(19-12-8-5-9-13-19)24(3)22(20)18-10-6-4-7-11-18/h4-13H,14-15H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094527
PNG
(3,5-Bis-(4-methanesulfonyl-phenyl)-4-aza-tricyclo[...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H23NO4S2/c1-29(25,26)18-9-5-14(6-10-18)22-20-16-3-4-17(13-16)21(20)23(24-22)15-7-11-19(12-8-15)30(2,27)28/h5-12,16-17,24H,3-4,13H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.028
BindingDB Entry DOI: 10.7270/Q2M909WP
More data for this
Ligand-Target Pair