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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50039090   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50378699
PNG
(CHEMBL1204023)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1NC1CCCCC1
Show InChI InChI=1S/C12H16F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H,16,18)
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n/an/a 80n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50158453
PNG
(CHEMBL224400 | N-(3-Phenylamino-4-pyridinyl)triflu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
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n/an/a 90n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50158453
PNG
(CHEMBL224400 | N-(3-Phenylamino-4-pyridinyl)triflu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
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n/an/a 90n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311366
PNG
(CHEMBL1079876 | N-[3-(4-methoxyphenylamino)-4-pyri...)
Show SMILES COc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C13H12F3N3O3S/c1-22-10-4-2-9(3-5-10)18-12-8-17-7-6-11(12)19-23(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 100n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311392
PNG
(CHEMBL1079335 | N-[3-(3-Bromophenylamino)-4-pyridi...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1cccc(Br)c1
Show InChI InChI=1S/C12H9BrF3N3O2S/c13-8-2-1-3-9(6-8)18-11-7-17-5-4-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 120n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50120981
PNG
(1,1,1-trifluoro-N-(3-phenoxypyridin-4-yl)methanesu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1
Show InChI InChI=1S/C12H9F3N2O3S/c13-12(14,15)21(18,19)17-10-6-7-16-8-11(10)20-9-4-2-1-3-5-9/h1-8H,(H,16,17)
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n/an/a 140n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311366
PNG
(CHEMBL1079876 | N-[3-(4-methoxyphenylamino)-4-pyri...)
Show SMILES COc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C13H12F3N3O3S/c1-22-10-4-2-9(3-5-10)18-12-8-17-7-6-11(12)19-23(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 160n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311396
PNG
(CHEMBL1080231 | N-[3-(4-methylphenylamino)-4-pyrid...)
Show SMILES Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C13H12F3N3O2S/c1-9-2-4-10(5-3-9)18-12-8-17-7-6-11(12)19-22(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 170n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50158453
PNG
(CHEMBL224400 | N-(3-Phenylamino-4-pyridinyl)triflu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
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n/an/a 180n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50158453
PNG
(CHEMBL224400 | N-(3-Phenylamino-4-pyridinyl)triflu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
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n/an/a 180n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311389
PNG
(CHEMBL1075636 | N-[3-(2-chlorophenylamino)-4-pyrid...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1Cl
Show InChI InChI=1S/C12H9ClF3N3O2S/c13-8-3-1-2-4-9(8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 190n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311398
PNG
(CHEMBL1080405 | N-[3-(3-ethylphenylamino)-4-pyridi...)
Show SMILES CCc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C14H14F3N3O2S/c1-2-10-4-3-5-11(8-10)19-13-9-18-7-6-12(13)20-23(21,22)14(15,16)17/h3-9,19H,2H2,1H3,(H,18,20)
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n/an/a 240n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311390
PNG
(CHEMBL1077388 | N-[3-(3-Chlorophenylamino)-4-pyrid...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H9ClF3N3O2S/c13-8-2-1-3-9(6-8)18-11-7-17-5-4-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 270n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50378700
PNG
(CHEMBL1204024)
Show SMILES CS(=O)(=O)Nc1ccncc1NC1CCCCC1
Show InChI InChI=1S/C12H19N3O2S/c1-18(16,17)15-11-7-8-13-9-12(11)14-10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3,(H,13,15)
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n/an/a 270n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50378699
PNG
(CHEMBL1204023)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1NC1CCCCC1
Show InChI InChI=1S/C12H16F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H,16,18)
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n/an/a 330n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
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 350n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311391
PNG
(CHEMBL1079333 | N-[3-(4-Chlorophenylamino)-4-pyrid...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C12H9ClF3N3O2S/c13-8-1-3-9(4-2-8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 410n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50120980
PNG
(CHEMBL148542 | N-(3-Phenoxy-pyridin-4-yl)-methanes...)
Show SMILES CS(=O)(=O)Nc1ccncc1Oc1ccccc1
Show InChI InChI=1S/C12H12N2O3S/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)
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n/an/a 410n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311395
PNG
(CHEMBL1077403 | N-[3-(3-Methylphenylamino)-4-pyrid...)
Show SMILES Cc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C13H12F3N3O2S/c1-9-3-2-4-10(7-9)18-12-8-17-6-5-11(12)19-22(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 450n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311396
PNG
(CHEMBL1080231 | N-[3-(4-methylphenylamino)-4-pyrid...)
Show SMILES Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C13H12F3N3O2S/c1-9-2-4-10(5-3-9)18-12-8-17-7-6-11(12)19-22(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 460n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311394
PNG
(CHEMBL1081856 | N-[3-(2-methylphenylamino)-4-pyrid...)
Show SMILES Cc1ccccc1Nc1cnccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3O2S/c1-9-4-2-3-5-10(9)18-12-8-17-7-6-11(12)19-22(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 480n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311368
PNG
(CHEMBL1079878 | N-[3-(2-chlorophenylamino)-4-pyrid...)
Show SMILES CS(=O)(=O)Nc1ccncc1Nc1ccccc1Cl
Show InChI InChI=1S/C12H12ClN3O2S/c1-19(17,18)16-11-6-7-14-8-12(11)15-10-5-3-2-4-9(10)13/h2-8,15H,1H3,(H,14,16)
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n/an/a 480n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311381
PNG
(CHEMBL1078683 | N-[3-(4-methoxyphenylamino)-4-pyri...)
Show SMILES COc1ccc(Nc2cnccc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C13H15N3O3S/c1-19-11-5-3-10(4-6-11)15-13-9-14-8-7-12(13)16-20(2,17)18/h3-9,15H,1-2H3,(H,14,16)
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n/an/a 560n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311373
PNG
(CHEMBL1078374 | N-[3-(2-methylphenylamino)-4-pyrid...)
Show SMILES Cc1ccccc1Nc1cnccc1NS(C)(=O)=O
Show InChI InChI=1S/C13H15N3O2S/c1-10-5-3-4-6-11(10)15-13-9-14-8-7-12(13)16-19(2,17)18/h3-9,15H,1-2H3,(H,14,16)
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n/an/a 560n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50120981
PNG
(1,1,1-trifluoro-N-(3-phenoxypyridin-4-yl)methanesu...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1
Show InChI InChI=1S/C12H9F3N2O3S/c13-12(14,15)21(18,19)17-10-6-7-16-8-11(10)20-9-4-2-1-3-5-9/h1-8H,(H,16,17)
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n/an/a 620n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311398
PNG
(CHEMBL1080405 | N-[3-(3-ethylphenylamino)-4-pyridi...)
Show SMILES CCc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C14H14F3N3O2S/c1-2-10-4-3-5-11(8-10)19-13-9-18-7-6-12(13)20-23(21,22)14(15,16)17/h3-9,19H,2H2,1H3,(H,18,20)
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n/an/a 690n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311369
PNG
(CHEMBL1078090 | N-[3-(3-Chlorophenylamino)-4-pyrid...)
Show SMILES CS(=O)(=O)Nc1ccncc1Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H12ClN3O2S/c1-19(17,18)16-11-5-6-14-8-12(11)15-10-4-2-3-9(13)7-10/h2-8,15H,1H3,(H,14,16)
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n/an/a 730n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311386
PNG
(CHEMBL1079073 | N-(3-cycloheptylamino-4-pyridinyl)...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1NC1CCCCCC1
Show InChI InChI=1S/C13H18F3N3O2S/c14-13(15,16)22(20,21)19-11-7-8-17-9-12(11)18-10-5-3-1-2-4-6-10/h7-10,18H,1-6H2,(H,17,19)
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n/an/a 760n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311392
PNG
(CHEMBL1079335 | N-[3-(3-Bromophenylamino)-4-pyridi...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1cccc(Br)c1
Show InChI InChI=1S/C12H9BrF3N3O2S/c13-8-2-1-3-9(6-8)18-11-7-17-5-4-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 910n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311399
PNG
(CHEMBL1080406 | N-[3-(4-ethylphenylamino)-4-pyridi...)
Show SMILES CCc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C14H14F3N3O2S/c1-2-10-3-5-11(6-4-10)19-13-9-18-8-7-12(13)20-23(21,22)14(15,16)17/h3-9,19H,2H2,1H3,(H,18,20)
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n/an/a 910n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311393
PNG
(CHEMBL1081855 | N-[3-(4-bromophenylamino)-4-pyridi...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H9BrF3N3O2S/c13-8-1-3-9(4-2-8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 910n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50378701
PNG
(CHEMBL1204025)
Show SMILES CS(=O)(=O)Nc1ccncc1NC1CCCCCC1
Show InChI InChI=1S/C13H21N3O2S/c1-19(17,18)16-12-8-9-14-10-13(12)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3,(H,14,16)
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n/an/a 940n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311395
PNG
(CHEMBL1077403 | N-[3-(3-Methylphenylamino)-4-pyrid...)
Show SMILES Cc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C13H12F3N3O2S/c1-9-3-2-4-10(7-9)18-12-8-17-6-5-11(12)19-22(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 990n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311401
PNG
(CHEMBL1079875 | N-[3-(3-methoxyphenylamino)-4-pyri...)
Show SMILES COc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C13H12F3N3O3S/c1-22-10-4-2-3-9(7-10)18-12-8-17-6-5-11(12)19-23(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311390
PNG
(CHEMBL1077388 | N-[3-(3-Chlorophenylamino)-4-pyrid...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H9ClF3N3O2S/c13-8-2-1-3-9(6-8)18-11-7-17-5-4-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311400
PNG
(CHEMBL1080407 | N-[3-(2-methoxyphenylamino)-4-pyri...)
Show SMILES COc1ccccc1Nc1cnccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3O3S/c1-22-12-5-3-2-4-10(12)18-11-8-17-7-6-9(11)19-23(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311382
PNG
(CHEMBL1078860 | N-(3-cyclopentylamino-4-pyridinyl)...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1NC1CCCC1
Show InChI InChI=1S/C11H14F3N3O2S/c12-11(13,14)20(18,19)17-9-5-6-15-7-10(9)16-8-3-1-2-4-8/h5-8,16H,1-4H2,(H,15,17)
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311391
PNG
(CHEMBL1079333 | N-[3-(4-Chlorophenylamino)-4-pyrid...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C12H9ClF3N3O2S/c13-8-1-3-9(4-2-8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50158452
PNG
(CHEMBL224122 | N-(3-(phenylthio)pyridin-4-yl)metha...)
Show SMILES CS(=O)(=O)Nc1ccncc1Sc1ccccc1
Show InChI InChI=1S/C12H12N2O2S2/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)
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n/an/a 1.19E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311399
PNG
(CHEMBL1080406 | N-[3-(4-ethylphenylamino)-4-pyridi...)
Show SMILES CCc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C14H14F3N3O2S/c1-2-10-3-5-11(6-4-10)19-13-9-18-8-7-12(13)20-23(21,22)14(15,16)17/h3-9,19H,2H2,1H3,(H,18,20)
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311370
PNG
(CHEMBL1077398 | N-[3-(4-chlorophenylamino)-4-pyrid...)
Show SMILES CS(=O)(=O)Nc1ccncc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClN3O2S/c1-19(17,18)16-11-6-7-14-8-12(11)15-10-4-2-9(13)3-5-10/h2-8,15H,1H3,(H,14,16)
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n/an/a 1.31E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311375
PNG
(CHEMBL1078376 | N-[3-(4-methylphenylamino)-4-pyrid...)
Show SMILES Cc1ccc(Nc2cnccc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C13H15N3O2S/c1-10-3-5-11(6-4-10)15-13-9-14-8-7-12(13)16-19(2,17)18/h3-9,15H,1-2H3,(H,14,16)
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n/an/a 1.31E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311401
PNG
(CHEMBL1079875 | N-[3-(3-methoxyphenylamino)-4-pyri...)
Show SMILES COc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C13H12F3N3O3S/c1-22-10-4-2-3-9(7-10)18-12-8-17-6-5-11(12)19-23(20,21)13(14,15)16/h2-8,18H,1H3,(H,17,19)
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n/an/a 1.58E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311393
PNG
(CHEMBL1081855 | N-[3-(4-bromophenylamino)-4-pyridi...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H9BrF3N3O2S/c13-8-1-3-9(4-2-8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311386
PNG
(CHEMBL1079073 | N-(3-cycloheptylamino-4-pyridinyl)...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1NC1CCCCCC1
Show InChI InChI=1S/C13H18F3N3O2S/c14-13(15,16)22(20,21)19-11-7-8-17-9-12(11)18-10-5-3-1-2-4-6-10/h7-10,18H,1-6H2,(H,17,19)
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n/an/a 1.62E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311388
PNG
(CHEMBL1079074 | N-(3-phenylamino-4-pyridinyl)3,3,3...)
Show SMILES FC(F)(F)CCS(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)7-9-23(21,22)20-12-6-8-18-10-13(12)19-11-4-2-1-3-5-11/h1-6,8,10,19H,7,9H2,(H,18,20)
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n/an/a 2.06E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311389
PNG
(CHEMBL1075636 | N-[3-(2-chlorophenylamino)-4-pyrid...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccccc1Cl
Show InChI InChI=1S/C12H9ClF3N3O2S/c13-8-3-1-2-4-9(8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)
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n/an/a 2.11E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311372
PNG
(CHEMBL1078373 | N-[3-(4-bromophenylamino)-4-pyridi...)
Show SMILES CS(=O)(=O)Nc1ccncc1Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H12BrN3O2S/c1-19(17,18)16-11-6-7-14-8-12(11)15-10-4-2-9(13)3-5-10/h2-8,15H,1H3,(H,14,16)
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n/an/a 2.12E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50311367
PNG
(CHEMBL1079877 | N-(3-phenylamino-4-pyridinyl)metha...)
Show SMILES CS(=O)(=O)Nc1ccncc1Nc1ccccc1
Show InChI InChI=1S/C12H13N3O2S/c1-18(16,17)15-11-7-8-13-9-12(11)14-10-5-3-2-4-6-10/h2-9,14H,1H3,(H,13,15)
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n/an/a 2.26E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
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