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PubMed code 23473947

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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))		BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 8.90n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 30n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432281
PNG
(CHEMBL2347671)
Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)
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n/an/a 50n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432287
PNG
(CHEMBL2347677)
Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)
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n/an/a 60n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432286
PNG
(CHEMBL2347667)
Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)
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n/an/a 70n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432280
PNG
(CHEMBL2347672)
Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 80n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432285
PNG
(CHEMBL2347668)
Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)
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n/an/a 100n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432279
PNG
(CHEMBL2347673)
Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 110n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432287
PNG
(CHEMBL2347677)
Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)
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n/an/a 160n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432281
PNG
(CHEMBL2347671)
Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)
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n/an/a 170n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432286
PNG
(CHEMBL2347667)
Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)
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n/an/a 210n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432280
PNG
(CHEMBL2347672)
Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 240n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432278
PNG
(CHEMBL2347674)
Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C18H18N2O4S2/c1-3-26(23,24)18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)25(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)
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n/an/a 240n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432283
PNG
(CHEMBL2346675)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)
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n/an/a 280n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432284
PNG
(CHEMBL2347669)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C17H16N2O4S2/c1-24(20,21)14-10-8-13(9-11-14)16-15(12-6-4-3-5-7-12)18-17(19-16)25(2,22)23/h3-11H,1-2H3,(H,18,19)
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n/an/a 280n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432282
PNG
(CHEMBL2347670)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)
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n/an/a 310n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432277
PNG
(CHEMBL2347675)
Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 310n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50432276
PNG
(CHEMBL2347676)
Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 320n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432285
PNG
(CHEMBL2347668)
Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)
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n/an/a 320n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432284
PNG
(CHEMBL2347669)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C17H16N2O4S2/c1-24(20,21)14-10-8-13(9-11-14)16-15(12-6-4-3-5-7-12)18-17(19-16)25(2,22)23/h3-11H,1-2H3,(H,18,19)
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n/an/a 340n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432278
PNG
(CHEMBL2347674)
Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C18H18N2O4S2/c1-3-26(23,24)18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)25(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)
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n/an/a 360n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432283
PNG
(CHEMBL2346675)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)
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n/an/a 390n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432279
PNG
(CHEMBL2347673)
Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 390n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432277
PNG
(CHEMBL2347675)
Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 400n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432282
PNG
(CHEMBL2347670)
Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)
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n/an/a 420n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50432276
PNG
(CHEMBL2347676)
Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)
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n/an/a 440n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
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 870n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(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 6.65E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%