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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with Target = 'COX-2'   
Target
(Institution)
LigandTarget
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
COX-2


(RAT)
BDBM50289087
PNG
(4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(C)CC(O)=O)c2c1
Show InChI InChI=1S/C22H24BrNO3/c1-14(11-22(25)26)10-19-15(2)24(13-16-4-6-17(23)7-5-16)21-9-8-18(27-3)12-20(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289082
PNG
(3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(C)C(O)=O)c2c1
Show InChI InChI=1S/C21H22BrNO3/c1-13(21(24)25)10-18-14(2)23(12-15-4-6-16(22)7-5-15)20-9-8-17(26-3)11-19(18)20/h4-9,11,13H,10,12H2,1-3H3,(H,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289084
PNG
(3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CCC(O)=O)c2c1
Show InChI InChI=1S/C20H20BrNO3/c1-13-17(8-10-20(23)24)18-11-16(25-2)7-9-19(18)22(13)12-14-3-5-15(21)6-4-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,24)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289083
PNG
(3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(C(C)CC(O)=O)c2c1
Show InChI InChI=1S/C21H22BrNO3/c1-13(10-20(24)25)21-14(2)23(12-15-4-6-16(22)7-5-15)19-9-8-17(26-3)11-18(19)21/h4-9,11,13H,10,12H2,1-3H3,(H,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289088
PNG
(4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CCC(C)C(O)=O)c2c1
Show InChI InChI=1S/C22H24BrNO3/c1-14(22(25)26)4-10-19-15(2)24(13-16-5-7-17(23)8-6-16)21-11-9-18(27-3)12-20(19)21/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,25,26)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289081
PNG
(4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CCCC(O)=O)c2c1
Show InChI InChI=1S/C21H22BrNO3/c1-14-18(4-3-5-21(24)25)19-12-17(26-2)10-11-20(19)23(14)13-15-6-8-16(22)9-7-15/h6-12H,3-5,13H2,1-2H3,(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM22970
PNG
(2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18BrNO3/c1-12-16(10-19(22)23)17-9-15(24-2)7-8-18(17)21(12)11-13-3-5-14(20)6-4-13/h3-9H,10-11H2,1-2H3,(H,22,23)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-2


(RAT)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-2


(RAT)
BDBM50289090
PNG
(CHEMBL162776 | {1-[1-(4-Bromo-benzyl)-5-methoxy-2-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC3(CC(O)=O)CC3)c2c1
Show InChI InChI=1S/C23H24BrNO3/c1-15-20(12-23(9-10-23)13-22(26)27)19-11-18(28-2)7-8-21(19)25(15)14-16-3-5-17(24)6-4-16/h3-8,11H,9-10,12-14H2,1-2H3,(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289089
PNG
(2-[1-(4-Chloro-benzyl)-5-methoxy-2-methyl-1H-indol...)
Show SMILES COc1ccc2n(Cc3ccc(Cl)cc3)c(C)c(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C20H20ClNO3/c1-12(20(23)24)19-13(2)22(11-14-4-6-15(21)7-5-14)18-9-8-16(25-3)10-17(18)19/h4-10,12H,11H2,1-3H3,(H,23,24)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289091
PNG
((S)-4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-in...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(C[C@H](C)CC(O)=O)c2c1
Show InChI InChI=1S/C22H24BrNO3/c1-14(11-22(25)26)10-19-15(2)24(13-16-4-6-17(23)7-5-16)21-9-8-18(27-3)12-20(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,26)/t14-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289087
PNG
(4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(C)CC(O)=O)c2c1
Show InChI InChI=1S/C22H24BrNO3/c1-14(11-22(25)26)10-19-15(2)24(13-16-4-6-17(23)7-5-16)21-9-8-18(27-3)12-20(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,26)
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289086
PNG
((2R,3S)-3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c([C@@H](C)[C@@H](C)C(O)=O)c2c1
Show InChI InChI=1S/C22H24BrNO3/c1-13(14(2)22(25)26)21-15(3)24(12-16-5-7-17(23)8-6-16)20-10-9-18(27-4)11-19(20)21/h5-11,13-14H,12H2,1-4H3,(H,25,26)/t13-,14+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289092
PNG
((R)-4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-in...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(C[C@@H](C)CC(O)=O)c2c1
Show InChI InChI=1S/C22H24BrNO3/c1-14(11-22(25)26)10-19-15(2)24(13-16-4-6-17(23)7-5-16)21-9-8-18(27-3)12-20(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,26)/t14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 220n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-2


(RAT)
BDBM50105290
PNG
(2-[7-Methoxy-4-(4-methyl-benzyl)-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(Cc3ccc(C)cc3)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C22H22O3/c1-14-4-6-16(7-5-14)12-17-8-10-19(15(2)22(23)24)21-13-18(25-3)9-11-20(17)21/h4-11,13,15H,12H2,1-3H3,(H,23,24)
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n/an/a 220n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105302
PNG
(2-[7-Methoxy-4-(4-methoxy-benzyl)-naphthalen-1-yl]...)
Show SMILES COc1ccc(Cc2ccc(C(C)C(O)=O)c3cc(OC)ccc23)cc1
Show InChI InChI=1S/C22H22O4/c1-14(22(23)24)19-10-6-16(12-15-4-7-17(25-2)8-5-15)20-11-9-18(26-3)13-21(19)20/h4-11,13-14H,12H2,1-3H3,(H,23,24)
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n/an/a 330n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105293
PNG
(2-(4-Benzyl-7-methoxy-naphthalen-1-yl)-propionic a...)
Show SMILES COc1ccc2c(Cc3ccccc3)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C21H20O3/c1-14(21(22)23)18-10-8-16(12-15-6-4-3-5-7-15)19-11-9-17(24-2)13-20(18)19/h3-11,13-14H,12H2,1-2H3,(H,22,23)
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n/an/a 390n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50289085
PNG
(CHEMBL159315 | L-748780 | [5-Methoxy-2-methyl-1-(2...)
Show SMILES COc1ccc2n(C(=O)c3c(Cl)cc(Cl)cc3Cl)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H14Cl3NO4/c1-9-12(8-17(24)25)13-7-11(27-2)3-4-16(13)23(9)19(26)18-14(21)5-10(20)6-15(18)22/h3-7H,8H2,1-2H3,(H,24,25)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105303
PNG
(2-[4-(4-Chloro-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(Cc3ccc(Cl)cc3)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C21H19ClO3/c1-13(21(23)24)18-9-5-15(11-14-3-6-16(22)7-4-14)19-10-8-17(25-2)12-20(18)19/h3-10,12-13H,11H2,1-2H3,(H,23,24)
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n/an/a 520n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105289
PNG
(2-[4-(4-Fluoro-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(Cc3ccc(F)cc3)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C21H19FO3/c1-13(21(23)24)18-9-5-15(11-14-3-6-16(22)7-4-14)19-10-8-17(25-2)12-20(18)19/h3-10,12-13H,11H2,1-2H3,(H,23,24)
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n/an/a 740n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 760n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-2


(RAT)
BDBM50105288
PNG
(CHEMBL91139 | [4-(4-Chloro-benzyl)-7-methoxy-napht...)
Show SMILES COc1ccc2c(Cc3ccc(Cl)cc3)ccc(CC(O)=O)c2c1
Show InChI InChI=1S/C20H17ClO3/c1-24-17-8-9-18-14(10-13-2-6-16(21)7-3-13)4-5-15(11-20(22)23)19(18)12-17/h2-9,12H,10-11H2,1H3,(H,22,23)
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n/an/a 880n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105282
PNG
(2-[4-(4-Ethyl-benzyl)-7-methoxy-naphthalen-1-yl]-p...)
Show SMILES CCc1ccc(Cc2ccc(C(C)C(O)=O)c3cc(OC)ccc23)cc1
Show InChI InChI=1S/C23H24O3/c1-4-16-5-7-17(8-6-16)13-18-9-11-20(15(2)23(24)25)22-14-19(26-3)10-12-21(18)22/h5-12,14-15H,4,13H2,1-3H3,(H,24,25)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
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 1.10E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-2


(RAT)
BDBM50105298
PNG
(2-[4-(2-Chloro-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(Cc3ccccc3Cl)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C21H19ClO3/c1-13(21(23)24)17-9-7-14(11-15-5-3-4-6-20(15)22)18-10-8-16(25-2)12-19(17)18/h3-10,12-13H,11H2,1-2H3,(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105300
PNG
(2-[4-(4-Ethoxy-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES CCOc1ccc(Cc2ccc(C(C)C(O)=O)c3cc(OC)ccc23)cc1
Show InChI InChI=1S/C23H24O4/c1-4-27-18-8-5-16(6-9-18)13-17-7-11-20(15(2)23(24)25)22-14-19(26-3)10-12-21(17)22/h5-12,14-15H,4,13H2,1-3H3,(H,24,25)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105286
PNG
(2-[4-(4-Fluoro-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES CCC(C(O)=O)c1ccc(Cc2ccc(F)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C22H21FO3/c1-3-18(22(24)25)20-10-6-15(12-14-4-7-16(23)8-5-14)19-11-9-17(26-2)13-21(19)20/h4-11,13,18H,3,12H2,1-2H3,(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105284
PNG
(2-[4-(4-Fluoro-benzyl)-naphthalen-1-yl]-propionic ...)
Show SMILES CC(C(O)=O)c1ccc(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C20H17FO2/c1-13(20(22)23)17-11-8-15(18-4-2-3-5-19(17)18)12-14-6-9-16(21)10-7-14/h2-11,13H,12H2,1H3,(H,22,23)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105285
PNG
(2-[4-(4-Chloro-benzyl)-7-methylsulfanyl-naphthalen...)
Show SMILES CSc1ccc2c(Cc3ccc(Cl)cc3)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C21H19ClO2S/c1-13(21(23)24)18-9-5-15(11-14-3-6-16(22)7-4-14)19-10-8-17(25-2)12-20(18)19/h3-10,12-13H,11H2,1-2H3,(H,23,24)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105287
PNG
(2-[4-(4-Chloro-benzyl)-7-methanesulfonyl-naphthale...)
Show SMILES CC(C(O)=O)c1ccc(Cc2ccc(Cl)cc2)c2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19ClO4S/c1-13(21(23)24)18-9-5-15(11-14-3-6-16(22)7-4-14)19-10-8-17(12-20(18)19)27(2,25)26/h3-10,12-13H,11H2,1-2H3,(H,23,24)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105294
PNG
(2-[4-(4-Fluoro-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(Cc3ccc(F)cc3)ccc(C(C(C)C)C(O)=O)c2c1
Show InChI InChI=1S/C23H23FO3/c1-14(2)22(23(25)26)20-10-6-16(12-15-4-7-17(24)8-5-15)19-11-9-18(27-3)13-21(19)20/h4-11,13-14,22H,12H2,1-3H3,(H,25,26)
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n/an/a 6.38E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105297
PNG
(2-[4-(4-Acetyl-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(Cc3ccc(cc3)C(C)=O)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C23H22O4/c1-14(23(25)26)20-10-8-18(21-11-9-19(27-3)13-22(20)21)12-16-4-6-17(7-5-16)15(2)24/h4-11,13-14H,12H2,1-3H3,(H,25,26)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105301
PNG
(2-[4-(4-tert-Butyl-benzyl)-7-methoxy-naphthalen-1-...)
Show SMILES COc1ccc2c(Cc3ccc(cc3)C(C)(C)C)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C25H28O3/c1-16(24(26)27)21-12-8-18(22-13-11-20(28-5)15-23(21)22)14-17-6-9-19(10-7-17)25(2,3)4/h6-13,15-16H,14H2,1-5H3,(H,26,27)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105281
PNG
(2-[4-(4-Chloro-benzyl)-7-ethyl-naphthalen-1-yl]-pr...)
Show SMILES CCc1ccc2c(Cc3ccc(Cl)cc3)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C22H21ClO2/c1-3-15-6-10-20-17(12-16-4-8-18(23)9-5-16)7-11-19(21(20)13-15)14(2)22(24)25/h4-11,13-14H,3,12H2,1-2H3,(H,24,25)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105296
PNG
(CHEMBL91595 | [4-(4-Chloro-benzyl)-7-methoxy-napht...)
Show SMILES COc1ccc2c(Cc3ccc(Cl)cc3)cc(CC(O)=O)cc2c1
Show InChI InChI=1S/C20H17ClO3/c1-24-18-6-7-19-15(8-13-2-4-17(21)5-3-13)9-14(11-20(22)23)10-16(19)12-18/h2-7,9-10,12H,8,11H2,1H3,(H,22,23)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105283
PNG
(CHEMBL330722 | [1-(4-Chloro-benzyl)-6-methoxy-naph...)
Show SMILES COc1ccc2c(Cc3ccc(Cl)cc3)c(CC(O)=O)ccc2c1
Show InChI InChI=1S/C20H17ClO3/c1-24-17-8-9-18-14(11-17)4-5-15(12-20(22)23)19(18)10-13-2-6-16(21)7-3-13/h2-9,11H,10,12H2,1H3,(H,22,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105292
PNG
(2-[7-Chloro-4-(4-chloro-benzyl)-naphthalen-1-yl]-p...)
Show SMILES CC(C(O)=O)c1ccc(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H16Cl2O2/c1-12(20(23)24)17-8-4-14(10-13-2-5-15(21)6-3-13)18-9-7-16(22)11-19(17)18/h2-9,11-12H,10H2,1H3,(H,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105299
PNG
(2-[4-(4-Fluoro-benzyl)-6-methoxy-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(ccc(Cc3ccc(F)cc3)c2c1)C(C)C(O)=O
Show InChI InChI=1S/C21H19FO3/c1-13(21(23)24)18-9-5-15(11-14-3-6-16(22)7-4-14)20-12-17(25-2)8-10-19(18)20/h3-10,12-13H,11H2,1-2H3,(H,23,24)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105295
PNG
(2-[4-(3-Chloro-benzyl)-7-methoxy-naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(Cc3cccc(Cl)c3)ccc(C(C)C(O)=O)c2c1
Show InChI InChI=1S/C21H19ClO3/c1-13(21(23)24)18-8-6-15(10-14-4-3-5-16(22)11-14)19-9-7-17(25-2)12-20(18)19/h3-9,11-13H,10H2,1-2H3,(H,23,24)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in rat synovial fibroblast assessed as inhibition of IL-1-mediated PGE2 production


Citation and Details
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50105291
PNG
(1-(4-Chloro-benzyl)-6-methoxy-naphthalene | CHEMBL...)
Show SMILES COc1ccc2c(Cc3ccc(Cl)cc3)cccc2c1
Show InChI InChI=1S/C18H15ClO/c1-20-17-9-10-18-14(3-2-4-15(18)12-17)11-13-5-7-16(19)8-6-13/h2-10,12H,11H2,1H3
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n/an/a 5.04E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 11: 2687-90 (2001)

More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 in rat whole blood assessed as decreased PGE2 production


Citation and Details
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Ligand-Target Pair
COX-2


(RAT)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
PDB
MMDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)

More data for this
Ligand-Target Pair