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PubMed code 7332706

Compile data set for download or QSAR
Found 24 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 1/2


(RAT)		BDBM50223539
PNG
(CHEMBL33957)
Show SMILES Brc1cc2CC(=O)Oc2cc1C1CCCCC1
Show InChI InChI=1S/C14H15BrO2/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223541
PNG
(Clofurac)
Show SMILES Clc1cc2CC(=O)Oc2cc1C1CCCCC1
Show InChI InChI=1S/C14H15ClO2/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223525
PNG
(CHEMBL35511)
Show SMILES CC1C(=O)Oc2cc(C3CCCCC3)c(Cl)cc12
Show InChI InChI=1S/C15H17ClO2/c1-9-11-7-13(16)12(8-14(11)18-15(9)17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223523
PNG
(CHEMBL34264)
Show SMILES Clc1cc2CC(=O)Oc2cc1-c1ccccc1
Show InChI InChI=1S/C14H9ClO2/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h1-6,8H,7H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223540
PNG
(CHEMBL34579)
Show SMILES CC1C(=O)Oc2cc(c(Cl)cc12)-c1ccccc1
Show InChI InChI=1S/C15H11ClO2/c1-9-11-7-13(16)12(8-14(11)18-15(9)17)10-5-3-2-4-6-10/h2-9H,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223535
PNG
(CHEMBL34410)
Show SMILES CC1C(=O)Oc2cc(C3CCCCC3)c(C)cc12
Show InChI InChI=1S/C16H20O2/c1-10-8-14-11(2)16(17)18-15(14)9-13(10)12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223536
PNG
(CHEMBL34649)
Show SMILES Cc1cc2CC(=O)Oc2cc1C1CCCCC1
Show InChI InChI=1S/C15H18O2/c1-10-7-12-8-15(16)17-14(12)9-13(10)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


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

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223528
PNG
(CHEMBL290797)
Show SMILES CC1C(=O)Oc2cc(ccc12)C1CCCCC1
Show InChI InChI=1S/C15H18O2/c1-10-13-8-7-12(9-14(13)17-15(10)16)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223532
PNG
(CHEMBL34698)
Show SMILES CC1C(=O)Oc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C15H12O2/c1-10-13-8-7-12(9-14(13)17-15(10)16)11-5-3-2-4-6-11/h2-10H,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223530
PNG
(CHEMBL285763)
Show SMILES [O-][N+](=O)c1cc2CC(=O)Oc2cc1C1CCCCC1
Show InChI InChI=1S/C14H15NO4/c16-14-7-10-6-12(15(17)18)11(8-13(10)19-14)9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223531
PNG
(CHEMBL35969)
Show SMILES O=C1Cc2ccc(cc2O1)-c1ccccc1
Show InChI InChI=1S/C14H10O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-8H,9H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223522
PNG
(CHEMBL35313)
Show SMILES O=C1Cc2ccc(cc2O1)C1CCCCC1
Show InChI InChI=1S/C14H16O2/c15-14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223538
PNG
(CHEMBL35129)
Show SMILES Clc1cc2CC(=O)Oc2c(Cl)c1C1CCCCC1
Show InChI InChI=1S/C14H14Cl2O2/c15-10-6-9-7-11(17)18-14(9)13(16)12(10)8-4-2-1-3-5-8/h6,8H,1-5,7H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223533
PNG
(CHEMBL35178)
Show SMILES Brc1c2OC(=O)Cc2ccc1C1CCCCC1
Show InChI InChI=1S/C14H15BrO2/c15-13-11(9-4-2-1-3-5-9)7-6-10-8-12(16)17-14(10)13/h6-7,9H,1-5,8H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223542
PNG
(CHEMBL33959)
Show SMILES CC(C)Cc1ccc2CC(=O)Oc2c1
Show InChI InChI=1S/C12H14O2/c1-8(2)5-9-3-4-10-7-12(13)14-11(10)6-9/h3-4,6,8H,5,7H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223524
PNG
(CHEMBL34207)
Show SMILES COc1cc2CC(=O)Oc2cc1-c1ccccc1
Show InChI InChI=1S/C15H12O3/c1-17-14-7-11-8-15(16)18-13(11)9-12(14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223529
PNG
(CHEMBL284297)
Show SMILES O=C1Cc2cc(ccc2O1)C1CCCCC1
Show InChI InChI=1S/C14H16O2/c15-14-9-12-8-11(6-7-13(12)16-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223534
PNG
(CHEMBL286450)
Show SMILES O=C1Cc2ccc(cc2O1)C1CCCC1
Show InChI InChI=1S/C13H14O2/c14-13-8-11-6-5-10(7-12(11)15-13)9-3-1-2-4-9/h5-7,9H,1-4,8H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223527
PNG
(CHEMBL34578)
Show SMILES Oc1cc2CC(=O)Oc2cc1-c1ccccc1
Show InChI InChI=1S/C14H10O3/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h1-6,8,15H,7H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223537
PNG
(CHEMBL35425)
Show SMILES CCC1C(=O)Oc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-2-13-14-9-8-12(10-15(14)18-16(13)17)11-6-4-3-5-7-11/h3-10,13H,2H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50223526
PNG
(CHEMBL418227)
Show SMILES O=C1Cc2cccc(C3CCCCC3)c2O1
Show InChI InChI=1S/C14H16O2/c15-13-9-11-7-4-8-12(14(11)16-13)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50029069
PNG
(2-Coumarotioiie | 3H-Benzofuran-2-one | CHEMBL2845...)
Show SMILES O=C1Cc2ccccc2O1
Show InChI InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin synthesis was tested in rat

J Med Chem 24: 1465-71 (1981)


BindingDB Entry DOI: 10.7270/Q2M61NFB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%