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Compile Data Set for Download or QSAR

Found 111 hits from Devi Ahilya Vishwavidyalaya   
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


(Homo sapiens (human))
BDBM50422626
PNG
(CHEMBL363574)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3c(F)c(F)ccc3-c12)C(F)(F)F
Show InChI InChI=1S/C17H10F5N3O2S2/c18-12-6-5-10-11(13(12)19)7-28-15-14(10)25(24-16(15)17(20,21)22)8-1-3-9(4-2-8)29(23,26)27/h1-6H,7H2,(H2,23,26,27)
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n/an/a 6n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50422624
PNG
(CHEMBL365769)
Show SMILES COc1ccc2-c3c(SCc2c1F)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H13F4N3O3S2/c1-28-13-7-6-11-12(14(13)19)8-29-16-15(11)25(24-17(16)18(20,21)22)9-2-4-10(5-3-9)30(23,26)27/h2-7H,8H2,1H3,(H2,23,26,27)
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n/an/a 8.90n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288325
PNG
(4-(7-Methoxy-3-trifluoromethyl-5H-isothiochromeno[...)
Show SMILES COc1ccc2-c3c(SCc2c1)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O3S2/c1-27-12-4-7-14-10(8-12)9-28-16-15(14)24(23-17(16)18(19,20)21)11-2-5-13(6-3-11)29(22,25)26/h2-8H,9H2,1H3,(H2,22,25,26)
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n/an/a 13n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50422621
PNG
(CHEMBL195825)
Show SMILES Cc1ccc2-c3c(SCc2c1F)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H13F4N3O2S2/c1-9-2-7-12-13(14(9)19)8-28-16-15(12)25(24-17(16)18(20,21)22)10-3-5-11(6-4-10)29(23,26)27/h2-7H,8H2,1H3,(H2,23,26,27)
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n/an/a 16n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288323
PNG
(4-(3-Trifluoromethyl-5H-isothiochromeno[4,3-c]pyra...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3ccccc3-c12)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-15-14(13-4-2-1-3-10(13)9-26-15)23(22-16)11-5-7-12(8-6-11)27(21,24)25/h1-8H,9H2,(H2,21,24,25)
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n/an/a 20n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50422623
PNG
(CHEMBL365778)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3c(F)cccc3-c12)C(F)(F)F
Show InChI InChI=1S/C17H11F4N3O2S2/c18-13-3-1-2-11-12(13)8-27-15-14(11)24(23-16(15)17(19,20)21)9-4-6-10(7-5-9)28(22,25)26/h1-7H,8H2,(H2,22,25,26)
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n/an/a 21n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288329
PNG
(4-(7-Methyl-3-trifluoromethyl-5H-isothiochromeno[4...)
Show SMILES Cc1ccc2-c3c(SCc2c1)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O2S2/c1-10-2-7-14-11(8-10)9-27-16-15(14)24(23-17(16)18(19,20)21)12-3-5-13(6-4-12)28(22,25)26/h2-8H,9H2,1H3,(H2,22,25,26)
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n/an/a 22n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50422625
PNG
(CHEMBL365603)
Show SMILES COc1ccc2-c3c(SCc2c1F)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C18H14F3N3O3S2/c1-27-13-7-6-11-12(14(13)19)8-28-17-15(18(20)21)23-24(16(11)17)9-2-4-10(5-3-9)29(22,25)26/h2-7,18H,8H2,1H3,(H2,22,25,26)
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n/an/a 32n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288330
PNG
(4-(7-Fluoro-3-trifluoromethyl-5H-isothiochromeno[4...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3cc(F)ccc3-c12)C(F)(F)F
Show InChI InChI=1S/C17H11F4N3O2S2/c18-10-1-6-13-9(7-10)8-27-15-14(13)24(23-16(15)17(19,20)21)11-2-4-12(5-3-11)28(22,25)26/h1-7H,8H2,(H2,22,25,26)
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n/an/a 40n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150210
PNG
(3-(2-Fluoro-4-methyl-phenoxy)-2-(4-methanesulfonyl...)
Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C20H17FO5S/c1-12-4-9-18(16(21)10-12)26-20-17(22)11-13(2)25-19(20)14-5-7-15(8-6-14)27(3,23)24/h4-11H,1-3H3
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n/an/a 60.0n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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n/an/a 64n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of COX2 in lipopolysaccharide-stimulated human MONO-MAC-6 cells


Bioorg Med Chem 20: 7119-27 (2012)


Article DOI: 10.1016/j.bmc.2012.09.069
BindingDB Entry DOI: 10.7270/Q20866GD
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50422620
PNG
(CHEMBL195894)
Show SMILES COc1ccc2-c3c(SCc2c1F)c(nn3-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2O3S2/c1-28-14-8-7-12-13(15(14)20)9-29-17-16(12)25(24-18(17)19(21,22)23)10-3-5-11(6-4-10)30(2,26)27/h3-8H,9H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150211
PNG
(3-(2,4-Difluoro-phenoxy)-2-(4-methanesulfonyl-phen...)
Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14F2O5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288324
PNG
(4-(3-Cyano-7-fluoro-5H-isothiochromeno[4,3-c]pyraz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(C#N)c2SCc3cc(F)ccc3-c12
Show InChI InChI=1S/C17H11FN4O2S2/c18-11-1-6-14-10(7-11)9-25-17-15(8-19)21-22(16(14)17)12-2-4-13(5-3-12)26(20,23)24/h1-7H,9H2,(H2,20,23,24)
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n/an/a 141n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150226
PNG
(3-(4-Bromo-2-fluoro-phenoxy)-2-(4-methanesulfonyl-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14BrFO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150202
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-o-tolyloxy...)
Show SMILES Cc1cc(=O)c(Oc2ccccc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18O5S/c1-13-6-4-5-7-18(13)25-20-17(21)12-14(2)24-19(20)15-8-10-16(11-9-15)26(3,22)23/h4-12H,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150215
PNG
(3-(4-Fluoro-2-methyl-phenoxy)-2-(4-methanesulfonyl...)
Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17FO5S/c1-12-10-15(21)6-9-18(12)26-20-17(22)11-13(2)25-19(20)14-4-7-16(8-5-14)27(3,23)24/h4-11H,1-3H3
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n/an/a 180n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150193
PNG
(3-(2-Chloro-4-methoxy-phenoxy)-2-(4-methanesulfony...)
Show SMILES COc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C20H17ClO6S/c1-12-10-17(22)20(27-18-9-6-14(25-2)11-16(18)21)19(26-12)13-4-7-15(8-5-13)28(3,23)24/h4-11H,1-3H3
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n/an/a 180n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150197
PNG
(3-(4-Chloro-2-methyl-phenoxy)-2-(4-methanesulfonyl...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17ClO5S/c1-12-10-15(21)6-9-18(12)26-20-17(22)11-13(2)25-19(20)14-4-7-16(8-5-14)27(3,23)24/h4-11H,1-3H3
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n/an/a 190n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150185
PNG
(3-(4-Chloro-2-fluoro-phenoxy)-2-(4-methanesulfonyl...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14ClFO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150224
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyloxy...)
Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18O5S/c1-13-4-8-16(9-5-13)25-20-18(21)12-14(2)24-19(20)15-6-10-17(11-7-15)26(3,22)23/h4-12H,1-3H3
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n/an/a 210n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150225
PNG
(3-(2-Chloro-4-methyl-phenoxy)-2-(4-methanesulfonyl...)
Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C20H17ClO5S/c1-12-4-9-18(16(21)10-12)26-20-17(22)11-13(2)25-19(20)14-5-7-15(8-6-14)27(3,23)24/h4-11H,1-3H3
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n/an/a 240n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50131046
PNG
(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Show SMILES O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12
Show InChI InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
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n/an/a 280n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of COX2 in BMMC cells assessed as PGD2 generation


Bioorg Med Chem 20: 7119-27 (2012)


Article DOI: 10.1016/j.bmc.2012.09.069
BindingDB Entry DOI: 10.7270/Q20866GD
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150198
PNG
(3-(4-Bromo-2-chloro-phenoxy)-2-(4-methanesulfonyl-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14BrClO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150194
PNG
(3-(4-Chloro-phenoxy)-2-(4-methanesulfonyl-phenyl)-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15ClO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3
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n/an/a 320n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150222
PNG
(3-(4-Bromo-phenoxy)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15BrO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150212
PNG
(3-(4-Iodo-phenoxy)-2-(4-methanesulfonyl-phenyl)-6-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(I)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15IO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3
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n/an/a 410n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288327
PNG
(4-(3-Trifluoromethyl-4H-thiochromeno[4,3-c]pyrazol...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2CSc3ccccc3-c12)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25)
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n/an/a 457n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150214
PNG
(3-(3,4-Dichloro-phenyl)-2-(4-methanesulfonyl-pheny...)
Show SMILES Cc1cc(=O)c(-c2ccc(Cl)c(Cl)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14Cl2O4S/c1-11-9-17(22)18(13-5-8-15(20)16(21)10-13)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3
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n/an/a 680n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150218
PNG
(3-(4-Fluoro-phenoxy)-2-(4-methanesulfonyl-phenyl)-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15FO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3
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n/an/a 980n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150199
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenoxy-py...)
Show SMILES Cc1cc(=O)c(Oc2ccccc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O5S/c1-13-12-17(20)19(24-15-6-4-3-5-7-15)18(23-13)14-8-10-16(11-9-14)25(2,21)22/h3-12H,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150216
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cc(=O)c(-c2ccc(F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15FO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288335
PNG
(4-(3-Trifluoromethyl-4,5-dihydro-benzo[g]indazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2CCc3ccccc3-c12)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O2S/c19-18(20,21)17-15-10-5-11-3-1-2-4-14(11)16(15)24(23-17)12-6-8-13(9-7-12)27(22,25)26/h1-4,6-9H,5,10H2,(H2,22,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150204
PNG
(3-(2,4-Difluoro-phenyl)-2-(4-methanesulfonyl-pheny...)
Show SMILES Cc1cc(=O)c(-c2ccc(F)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14F2O4S/c1-11-9-17(22)18(15-8-5-13(20)10-16(15)21)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50288332
PNG
(4-(3-Trifluoromethyl-4H-chromeno[4,3-c]pyrazol-1-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2COc3ccccc3-c12)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O3S/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150220
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-m-tolyloxy...)
Show SMILES Cc1cccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C20H18O5S/c1-13-5-4-6-16(11-13)25-20-18(21)12-14(2)24-19(20)15-7-9-17(10-8-15)26(3,22)23/h4-12H,1-3H3
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n/an/a 1.35E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150196
PNG
(3-(4-Amino-phenoxy)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cc(=O)c(Oc2ccc(N)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H17NO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,20H2,1-2H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50422622
PNG
(CHEMBL611203)
Show SMILES COc1ccc2-c3c(c(nn3-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F)S(=O)Cc2c1F
Show InChI InChI=1S/C18H13F4N3O4S2/c1-29-13-7-6-11-12(14(13)19)8-30(26)16-15(11)25(24-17(16)18(20,21)22)9-2-4-10(5-3-9)31(23,27)28/h2-7H,8H2,1H3,(H2,23,27,28)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 15: 2097-102 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.035
BindingDB Entry DOI: 10.7270/Q2B27WMW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150207
PNG
(3-(2-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cc(=O)c(-c2ccccc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15FO4S/c1-12-11-17(21)18(15-5-3-4-6-16(15)20)19(24-12)13-7-9-14(10-8-13)25(2,22)23/h3-11H,1-2H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150186
PNG
(3-(4-Bromo-phenyl)-2-(4-methanesulfonyl-phenyl)-6-...)
Show SMILES Cc1cc(=O)c(-c2ccc(Br)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15BrO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3
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n/an/a 1.73E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150195
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenyl-pyr...)
Show SMILES Cc1cc(=O)c(-c2ccccc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O4S/c1-13-12-17(20)18(14-6-4-3-5-7-14)19(23-13)15-8-10-16(11-9-15)24(2,21)22/h3-12H,1-2H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150203
PNG
(3-(4-Chloro-2-fluoro-phenyl)-2-(4-methanesulfonyl-...)
Show SMILES Cc1cc(=O)c(-c2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14ClFO4S/c1-11-9-17(22)18(15-8-5-13(20)10-16(15)21)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3
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n/an/a 2.05E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150189
PNG
(3-(4-Chloro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cc(=O)c(-c2ccc(Cl)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15ClO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150217
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyl-py...)
Show SMILES Cc1ccc(cc1)-c1c(oc(C)cc1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18O4S/c1-13-4-6-15(7-5-13)19-18(21)12-14(2)24-20(19)16-8-10-17(11-9-16)25(3,22)23/h4-12H,1-3H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150221
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-trifluo...)
Show SMILES Cc1cc(=O)c(Oc2ccc(OC(F)(F)F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O6S/c1-12-11-17(24)19(28-14-5-7-15(8-6-14)29-20(21,22)23)18(27-12)13-3-9-16(10-4-13)30(2,25)26/h3-11H,1-2H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150190
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-trifluo...)
Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)C(F)(F)F)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O5S/c1-12-11-17(24)19(28-15-7-5-14(6-8-15)20(21,22)23)18(27-12)13-3-9-16(10-4-13)29(2,25)26/h3-11H,1-2H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150188
PNG
(3-(3-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cc(=O)c(-c2cccc(F)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15FO4S/c1-12-10-17(21)18(14-4-3-5-15(20)11-14)19(24-12)13-6-8-16(9-7-13)25(2,22)23/h3-11H,1-2H3
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n/an/a 3.37E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50410062
PNG
(CHEMBL362149)
Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14Cl2O5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150191
PNG
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-nitro-p...)
Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)[N+]([O-])=O)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15NO7S/c1-12-11-17(21)19(27-15-7-5-14(6-8-15)20(22)23)18(26-12)13-3-9-16(10-4-13)28(2,24)25/h3-11H,1-2H3
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n/an/a 3.99E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50150219
PNG
(3-(3,4-Difluoro-phenoxy)-2-(4-methanesulfonyl-phen...)
Show SMILES Cc1cc(=O)c(Oc2ccc(F)c(F)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14F2O5S/c1-11-9-17(22)19(26-13-5-8-15(20)16(21)10-13)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
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n/an/a 4.43E+3n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
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