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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with Target = 'COX-1' AND taxid = 10116   
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-1


(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)
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>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
COX-1


(RAT)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 1


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50172479
PNG
((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-1


(RAT)
BDBM50286822
PNG
(2-(2-Methyl-10H-9-oxa-1-aza-anthracen-6-yl)-propio...)
Show SMILES CC(C(O)=O)c1ccc2Oc3nc(C)ccc3Cc2c1
Show InChI InChI=1S/C16H15NO3/c1-9-3-4-12-8-13-7-11(10(2)16(18)19)5-6-14(13)20-15(12)17-9/h3-7,10H,8H2,1-2H3,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against COX-1 from rat peritoneal leukocytes, measured by PGE-2 produced (enzyme immunoassay)


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50286821
PNG
(2-(2-Ethyl-10H-9-oxa-1-aza-anthracen-6-yl)-propion...)
Show SMILES CCc1ccc2Cc3cc(ccc3Oc2n1)C(C)C(O)=O
Show InChI InChI=1S/C17H17NO3/c1-3-14-6-4-12-9-13-8-11(10(2)17(19)20)5-7-15(13)21-16(12)18-14/h4-8,10H,3,9H2,1-2H3,(H,19,20)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against COX-1 from rat peritoneal leukocytes, measured by PGE-2 produced (enzyme immunoassay)


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 170n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-1


(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 190n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat prostaglandin G/H synthase 1


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

More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50286822
PNG
(2-(2-Methyl-10H-9-oxa-1-aza-anthracen-6-yl)-propio...)
Show SMILES CC(C(O)=O)c1ccc2Oc3nc(C)ccc3Cc2c1
Show InChI InChI=1S/C16H15NO3/c1-9-3-4-12-8-13-7-11(10(2)16(18)19)5-6-14(13)20-15(12)17-9/h3-7,10H,8H2,1-2H3,(H,18,19)
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against COX-1 from ram seminal vesicles


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50286819
PNG
(CHEMBL367463 | Pranoprofen | i2-(10H-9-Oxa-1-aza-a...)
Show SMILES CC(C(O)=O)c1ccc2Oc3ncccc3Cc2c1
Show InChI InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
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n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against COX-1 from rat peritoneal leukocytes, measured by PGE-2 produced (enzyme immunoassay)


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50286821
PNG
(2-(2-Ethyl-10H-9-oxa-1-aza-anthracen-6-yl)-propion...)
Show SMILES CCc1ccc2Cc3cc(ccc3Oc2n1)C(C)C(O)=O
Show InChI InChI=1S/C17H17NO3/c1-3-14-6-4-12-9-13-8-11(10(2)17(19)20)5-7-15(13)21-16(12)18-14/h4-8,10H,3,9H2,1-2H3,(H,19,20)
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against COX-1 from ram seminal vesicles


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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 1.50E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 2.30E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 2.40E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 2.80E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50286819
PNG
(CHEMBL367463 | Pranoprofen | i2-(10H-9-Oxa-1-aza-a...)
Show SMILES CC(C(O)=O)c1ccc2Oc3ncccc3Cc2c1
Show InChI InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against COX-1 from ram seminal vesicles


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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 4.10E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 7.30E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 8.80E+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 1


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

More data for this
Ligand-Target Pair
COX-1


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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 1


Citation and Details
More data for this
Ligand-Target Pair
COX-1


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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 1


Citation and Details
More data for this
Ligand-Target Pair
COX-1


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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 1


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50286825
PNG
(2-(3-Methyl-10H-9-oxa-1-aza-anthracen-6-yl)-propio...)
Show SMILES CC(C(O)=O)c1ccc2Oc3ncc(C)cc3Cc2c1
Show InChI InChI=1S/C16H15NO3/c1-9-5-13-7-12-6-11(10(2)16(18)19)3-4-14(12)20-15(13)17-8-9/h3-6,8,10H,7H2,1-2H3,(H,18,19)
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against COX-1 from ram seminal vesicles


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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 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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 1.42E+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 1


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-1


(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 1.50E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-1


(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 1.99E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013686
PNG
(CHEMBL3264520)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccc(C)cc3)cc12)-c1ccccc1
Show InChI InChI=1S/C24H20O4/c1-3-26-24(25)22-20-15-19(27-18-11-9-16(2)10-12-18)13-14-21(20)28-23(22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3
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n/an/a 2.62E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013687
PNG
(CHEMBL3264523)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccn3)cc12
Show InChI InChI=1S/C17H15NO4/c1-3-20-17(19)16-11(2)21-14-8-7-12(10-13(14)16)22-15-6-4-5-9-18-15/h4-10H,3H2,1-2H3
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n/an/a 2.79E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013684
PNG
(CHEMBL3264519)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccccc3C)cc12)-c1ccccc1
Show InChI InChI=1S/C24H20O4/c1-3-26-24(25)22-19-15-18(27-20-12-8-7-9-16(20)2)13-14-21(19)28-23(22)17-10-5-4-6-11-17/h4-15H,3H2,1-2H3
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n/an/a 2.98E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013679
PNG
(CHEMBL3264514)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3)cc12
Show InChI InChI=1S/C18H16O4/c1-3-20-18(19)17-12(2)21-16-10-9-14(11-15(16)17)22-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
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n/an/a 3.08E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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 3.58E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013680
PNG
(CHEMBL3264515)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3C)cc12
Show InChI InChI=1S/C19H18O4/c1-4-21-19(20)18-13(3)22-17-10-9-14(11-15(17)18)23-16-8-6-5-7-12(16)2/h5-11H,4H2,1-3H3
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n/an/a 3.58E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013682
PNG
(CHEMBL3264517)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccc(OC)cc3)cc12
Show InChI InChI=1S/C19H18O5/c1-4-22-19(20)18-12(2)23-17-10-9-15(11-16(17)18)24-14-7-5-13(21-3)6-8-14/h5-11H,4H2,1-3H3
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n/an/a 3.81E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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 4.08E+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 1


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

More data for this
Ligand-Target Pair
COX-1


(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 4.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013683
PNG
(CHEMBL3264518)
Show SMILES CCOC(=O)c1c(oc2ccc(Oc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C23H18O4/c1-2-25-23(24)21-19-15-18(26-17-11-7-4-8-12-17)13-14-20(19)27-22(21)16-9-5-3-6-10-16/h3-15H,2H2,1H3
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n/an/a 4.25E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013688
PNG
(CHEMBL3264524)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C22H18O4/c1-3-24-22(23)21-14(2)25-20-11-10-18(13-19(20)21)26-17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3
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n/an/a 4.75E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50013681
PNG
(CHEMBL3264516)
Show SMILES CCOC(=O)c1c(C)oc2ccc(Oc3ccc(C)cc3)cc12
Show InChI InChI=1S/C19H18O4/c1-4-21-19(20)18-13(3)22-17-10-9-15(11-16(17)18)23-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3
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n/an/a 4.97E+4n/an/an/an/an/an/a



Banaras Hindu University

Curated by ChEMBL


Assay Description
Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substr...


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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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Article
n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
COX-1


(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)
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
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