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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50006359   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048212
PNG
(CHEMBL144728 | N-[6-(4-Bromo-phenylsulfanyl)-1-oxo...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(Br)cc1
Show InChI InChI=1S/C16H14BrNO3S2/c1-23(20,21)18-14-8-10-2-7-15(19)13(10)9-16(14)22-12-5-3-11(17)4-6-12/h3-6,8-9,18H,2,7H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048204
PNG
(CHEMBL148153 | N-[6-(2,4-Dichloro-phenylsulfanyl)-...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048201
PNG
(CHEMBL147580 | Flosulide | N-[6-(2,4-Difluoro-phen...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO4S/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029603
PNG
(CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048216
PNG
(CHEMBL144013 | N-[6-(2,4-Difluoro-phenylsulfanyl)-...)
Show SMILES Fc1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C16H10F5NO3S2/c17-9-2-4-14(11(18)6-9)26-15-7-10-8(1-3-13(10)23)5-12(15)22-27(24,25)16(19,20)21/h2,4-7,22H,1,3H2
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n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048223
PNG
(CHEMBL144787 | N-(6-Cyclohexylsulfanyl-1-oxo-indan...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1SC1CCCCC1
Show InChI InChI=1S/C16H21NO3S2/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048218
PNG
(CHEMBL144884 | N-(1-Oxo-6-p-tolylsulfanyl-indan-5-...)
Show SMILES Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO3S2/c1-11-3-6-13(7-4-11)22-17-10-14-12(5-8-16(14)19)9-15(17)18-23(2,20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048211
PNG
(CHEMBL344959 | N-(6-Cyclohexyloxy-1-oxo-indan-5-yl...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCCC1
Show InChI InChI=1S/C16H21NO4S/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048197
PNG
(CHEMBL143781 | N-[6-(2,6-Difluoro-phenylsulfanyl)-...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1c(F)cccc1F
Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-7-9-5-6-14(20)10(9)8-15(13)23-16-11(17)3-2-4-12(16)18/h2-4,7-8,19H,5-6H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048220
PNG
(CHEMBL35992 | N-[1-Oxo-6-(pyridin-2-ylsulfanyl)-in...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccccn1
Show InChI InChI=1S/C15H14N2O3S2/c1-22(19,20)17-12-8-10-5-6-13(18)11(10)9-14(12)21-15-4-2-3-7-16-15/h2-4,7-9,17H,5-6H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048190
PNG
(CHEMBL289262 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-6-8-2-3-11(16)9(8)7-12(10)20-13-14-4-5-19-13/h4-7,15H,2-3H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048214
PNG
(CHEMBL144675 | N-(1-Oxo-6-o-tolylsulfanyl-indan-5-...)
Show SMILES Cc1ccccc1Sc1cc2C(=O)CCc2cc1NS(C)(=O)=O
Show InChI InChI=1S/C17H17NO3S2/c1-11-5-3-4-6-16(11)22-17-10-13-12(7-8-15(13)19)9-14(17)18-23(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048206
PNG
(CHEMBL342538 | N-[6-(4-Ethyl-phenylsulfanyl)-1-oxo...)
Show SMILES CCc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C18H19NO3S2/c1-3-12-4-7-14(8-5-12)23-18-11-15-13(6-9-17(15)20)10-16(18)19-24(2,21)22/h4-5,7-8,10-11,19H,3,6,9H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048209
PNG
(CHEMBL358295 | N-[6-(4-Methoxy-phenylsulfanyl)-1-o...)
Show SMILES COc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-22-12-4-6-13(7-5-12)23-17-10-14-11(3-8-16(14)19)9-15(17)18-24(2,20)21/h4-7,9-10,18H,3,8H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048200
PNG
(CHEMBL144819 | N-[6-(2-Fluoro-phenylsulfanyl)-1-ox...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccccc1F
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)18-13-8-10-6-7-14(19)11(10)9-16(13)22-15-5-3-2-4-12(15)17/h2-5,8-9,18H,6-7H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048194
PNG
(CHEMBL145710 | N-[6-(4-Methylsulfanyl-phenoxy)-1-o...)
Show SMILES CSc1ccc(Oc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-23-13-6-4-12(5-7-13)22-17-10-14-11(3-8-16(14)19)9-15(17)18-24(2,20)21/h4-7,9-10,18H,3,8H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048202
PNG
(CHEMBL343853 | N-[6-(2,4-Difluoro-benzyl)-1-oxo-in...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Cc1ccc(F)cc1F
Show InChI InChI=1S/C17H15F2NO3S/c1-24(22,23)20-16-8-10-3-5-17(21)14(10)7-12(16)6-11-2-4-13(18)9-15(11)19/h2,4,7-9,20H,3,5-6H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048195
PNG
(CHEMBL144100 | N-[1-Oxo-6-(thiophen-2-ylsulfanyl)-...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1cccs1
Show InChI InChI=1S/C14H13NO3S3/c1-21(17,18)15-11-7-9-4-5-12(16)10(9)8-13(11)20-14-3-2-6-19-14/h2-3,6-8,15H,4-5H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048219
PNG
(CHEMBL144441 | N-(6-Cyclopentyloxy-1-oxo-indan-5-y...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCC1
Show InChI InChI=1S/C15H19NO4S/c1-21(18,19)16-13-8-10-6-7-14(17)12(10)9-15(13)20-11-4-2-3-5-11/h8-9,11,16H,2-7H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048211
PNG
(CHEMBL344959 | N-(6-Cyclohexyloxy-1-oxo-indan-5-yl...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCCC1
Show InChI InChI=1S/C16H21NO4S/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048207
PNG
(CHEMBL344351 | N-[1-Oxo-6-(pyridin-4-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccncc1
Show InChI InChI=1S/C15H14N2O3S2/c1-22(19,20)17-13-8-10-2-3-14(18)12(10)9-15(13)21-11-4-6-16-7-5-11/h4-9,17H,2-3H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048198
PNG
(CHEMBL356940 | N-[6-(4-Fluoro-phenylsulfanyl)-1-ox...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)18-14-8-10-2-7-15(19)13(10)9-16(14)22-12-5-3-11(17)4-6-12/h3-6,8-9,18H,2,7H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048218
PNG
(CHEMBL144884 | N-(1-Oxo-6-p-tolylsulfanyl-indan-5-...)
Show SMILES Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO3S2/c1-11-3-6-13(7-4-11)22-17-10-14-12(5-8-16(14)19)9-15(17)18-23(2,20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048193
PNG
(CHEMBL146773 | N-[6-(2,4-Difluoro-phenylamino)-1-o...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Nc1ccc(F)cc1F
Show InChI InChI=1S/C16H14F2N2O3S/c1-24(22,23)20-15-6-9-2-5-16(21)11(9)8-14(15)19-13-4-3-10(17)7-12(13)18/h3-4,6-8,19-20H,2,5H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048208
PNG
(CHEMBL144317 | N-[6-(2,4-Difluoro-phenylsulfanyl)-...)
Show SMILES Fc1ccc(Sc2cc3C(=O)CCc3cc2NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H10F5NO2S/c18-9-2-4-14(11(19)6-9)26-15-7-10-8(1-3-13(10)24)5-12(15)23-16(25)17(20,21)22/h2,4-7H,1,3H2,(H,23,25)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048210
PNG
(CHEMBL148157 | N-[1-Oxo-6-(3H-1lambda*4*-thiazol-4...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1cscn1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-4-8-2-3-11(16)9(8)5-12(10)20-13-6-19-7-14-13/h4-7,15H,2-3H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048205
PNG
(CHEMBL343889 | N-[6-(2,4-Difluoro-phenylsulfanyl)-...)
Show SMILES CC(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C17H13F2NO2S/c1-9(21)20-14-6-10-2-4-15(22)12(10)8-17(14)23-16-5-3-11(18)7-13(16)19/h3,5-8H,2,4H2,1H3,(H,20,21)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048219
PNG
(CHEMBL144441 | N-(6-Cyclopentyloxy-1-oxo-indan-5-y...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCC1
Show InChI InChI=1S/C15H19NO4S/c1-21(18,19)16-13-8-10-6-7-14(17)12(10)9-15(13)20-11-4-2-3-5-11/h8-9,11,16H,2-7H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048222
PNG
(CHEMBL145257 | N-[6-(2,4-Difluoro-benzenesulfonyl)...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO5S2/c1-25(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)26(23,24)15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048199
PNG
(CHEMBL356997 | N-[6-(4-Isopropyl-phenylsulfanyl)-1...)
Show SMILES CC(C)c1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C19H21NO3S2/c1-12(2)13-4-7-15(8-5-13)24-19-11-16-14(6-9-18(16)21)10-17(19)20-25(3,22)23/h4-5,7-8,10-12,20H,6,9H2,1-3H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048196
PNG
(CHEMBL424303 | N-(1-Oxo-6-m-tolylsulfanyl-indan-5-...)
Show SMILES Cc1cccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H17NO3S2/c1-11-4-3-5-13(8-11)22-17-10-14-12(6-7-16(14)19)9-15(17)18-23(2,20)21/h3-5,8-10,18H,6-7H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048191
PNG
(CHEMBL444002 | N-[6-(4-Methanesulfonyl-phenoxy)-1-...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Oc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO6S2/c1-25(20,21)13-6-4-12(5-7-13)24-17-10-14-11(3-8-16(14)19)9-15(17)18-26(2,22)23/h4-7,9-10,18H,3,8H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048190
PNG
(CHEMBL289262 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-6-8-2-3-11(16)9(8)7-12(10)20-13-14-4-5-19-13/h4-7,15H,2-3H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048203
PNG
(CHEMBL357918 | Ethanesulfonic acid [6-(2,4-difluor...)
Show SMILES CCS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C17H15F2NO3S2/c1-2-25(22,23)20-14-7-10-3-5-15(21)12(10)9-17(14)24-16-6-4-11(18)8-13(16)19/h4,6-9,20H,2-3,5H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048189
PNG
(4-(6-Methanesulfonylamino-3-oxo-indan-5-ylsulfanyl...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H15NO5S2/c1-25(22,23)18-14-8-11-4-7-15(19)13(11)9-16(14)24-12-5-2-10(3-6-12)17(20)21/h2-3,5-6,8-9,18H,4,7H2,1H3,(H,20,21)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048192
PNG
(CHEMBL343198 | N-[6-(3-Fluoro-phenylsulfanyl)-1-ox...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1cccc(F)c1
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)18-14-7-10-5-6-15(19)13(10)9-16(14)22-12-4-2-3-11(17)8-12/h2-4,7-9,18H,5-6H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048217
PNG
(CHEMBL145315 | N-[1-Oxo-6-(tetrahydro-pyran-4-ylox...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCOCC1
Show InChI InChI=1S/C15H19NO5S/c1-22(18,19)16-13-8-10-2-3-14(17)12(10)9-15(13)21-11-4-6-20-7-5-11/h8-9,11,16H,2-7H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048203
PNG
(CHEMBL357918 | Ethanesulfonic acid [6-(2,4-difluor...)
Show SMILES CCS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C17H15F2NO3S2/c1-2-25(22,23)20-14-7-10-3-5-15(21)12(10)9-17(14)24-16-6-4-11(18)8-13(16)19/h4,6-9,20H,2-3,5H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048212
PNG
(CHEMBL144728 | N-[6-(4-Bromo-phenylsulfanyl)-1-oxo...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(Br)cc1
Show InChI InChI=1S/C16H14BrNO3S2/c1-23(20,21)18-14-8-10-2-7-15(19)13(10)9-16(14)22-12-5-3-11(17)4-6-12/h3-6,8-9,18H,2,7H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048215
PNG
(CHEMBL357163 | N-[6-(4-tert-Butyl-phenylsulfanyl)-...)
Show SMILES CC(C)(C)c1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C20H23NO3S2/c1-20(2,3)14-6-8-15(9-7-14)25-19-12-16-13(5-10-18(16)22)11-17(19)21-26(4,23)24/h6-9,11-12,21H,5,10H2,1-4H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048221
PNG
(CHEMBL147327 | N-[1-Oxo-6-(3H-1lambda*4*-thiazol-5...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1cncs1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-4-8-2-3-11(16)9(8)5-12(10)20-13-6-14-7-19-13/h4-7,15H,2-3H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50048213
PNG
(CHEMBL356804 | N-[6-(2-Methoxy-phenylsulfanyl)-1-o...)
Show SMILES COc1ccccc1Sc1cc2C(=O)CCc2cc1NS(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-22-15-5-3-4-6-16(15)23-17-10-12-11(7-8-14(12)19)9-13(17)18-24(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048204
PNG
(CHEMBL148153 | N-[6-(2,4-Dichloro-phenylsulfanyl)-...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048198
PNG
(CHEMBL356940 | N-[6-(4-Fluoro-phenylsulfanyl)-1-ox...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)18-14-8-10-2-7-15(19)13(10)9-16(14)22-12-5-3-11(17)4-6-12/h3-6,8-9,18H,2,7H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048201
PNG
(CHEMBL147580 | Flosulide | N-[6-(2,4-Difluoro-phen...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO4S/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048200
PNG
(CHEMBL144819 | N-[6-(2-Fluoro-phenylsulfanyl)-1-ox...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccccc1F
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)18-13-8-10-6-7-14(19)11(10)9-16(13)22-15-5-3-2-4-12(15)17/h2-5,8-9,18H,6-7H2,1H3
PDB

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



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50029603
PNG
(CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048214
PNG
(CHEMBL144675 | N-(1-Oxo-6-o-tolylsulfanyl-indan-5-...)
Show SMILES Cc1ccccc1Sc1cc2C(=O)CCc2cc1NS(C)(=O)=O
Show InChI InChI=1S/C17H17NO3S2/c1-11-5-3-4-6-16(11)22-17-10-13-12(7-8-15(13)19)9-14(17)18-23(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048223
PNG
(CHEMBL144787 | N-(6-Cyclohexylsulfanyl-1-oxo-indan...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1SC1CCCCC1
Show InChI InChI=1S/C16H21NO3S2/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
PDB

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



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048197
PNG
(CHEMBL143781 | N-[6-(2,6-Difluoro-phenylsulfanyl)-...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1c(F)cccc1F
Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-7-9-5-6-14(20)10(9)8-15(13)23-16-11(17)3-2-4-12(16)18/h2-4,7-8,19H,5-6H2,1H3
PDB

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antibodypedia
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair