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PubMed code 3133478

Compile data set for download or QSAR
Found 16 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


(Bos taurus)		BDBM50022550
PNG
(4-Hydroxy-2-(1-hydroxy-propyl)-8-trifluoromethyl-q...)
Show SMILES CCC(O)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-2-10(24)13-11(15(26)23-16-21-6-7-27-16)14(25)8-4-3-5-9(12(8)22-13)17(18,19)20/h3-7,10,24H,2H2,1H3,(H,22,25)(H,21,23,26)
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n/an/a 200n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50367740
PNG
(CHEMBL1907766)
Show SMILES CC[C@H](NC(=O)CC)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F3N4O3S/c1-3-12(25-13(28)4-2)16-14(18(30)27-19-24-8-9-31-19)17(29)10-6-5-7-11(15(10)26-16)20(21,22)23/h5-9,12H,3-4H2,1-2H3,(H,25,28)(H,26,29)(H,24,27,30)/t12-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50022555
PNG
(4-Hydroxy-2,8-bis-trifluoromethyl-quinoline-3-carb...)
Show SMILES Oc1c(C(=O)Nc2nccs2)c(nc2c(cccc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H7F6N3O2S/c16-14(17,18)7-3-1-2-6-9(7)23-11(15(19,20)21)8(10(6)25)12(26)24-13-22-4-5-27-13/h1-5H,(H,23,25)(H,22,24,26)
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n/an/a 400n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50022550
PNG
(4-Hydroxy-2-(1-hydroxy-propyl)-8-trifluoromethyl-q...)
Show SMILES CCC(O)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-2-10(24)13-11(15(26)23-16-21-6-7-27-16)14(25)8-4-3-5-9(12(8)22-13)17(18,19)20/h3-7,10,24H,2H2,1H3,(H,22,25)(H,21,23,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50367739
PNG
(CHEMBL1907769)
Show SMILES CC[C@H](N)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C17H15F3N4O2S/c1-2-10(21)13-11(15(26)24-16-22-6-7-27-16)14(25)8-4-3-5-9(12(8)23-13)17(18,19)20/h3-7,10H,2,21H2,1H3,(H,23,25)(H,22,24,26)/t10-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50022556
PNG
(2-Dichloromethyl-4-hydroxy-8-trifluoromethyl-quino...)
Show SMILES Oc1c(C(=O)Nc2nccs2)c(nc2c(cccc12)C(F)(F)F)C(Cl)Cl
Show InChI InChI=1S/C15H8Cl2F3N3O2S/c16-12(17)10-8(13(25)23-14-21-4-5-26-14)11(24)6-2-1-3-7(9(6)22-10)15(18,19)20/h1-5,12H,(H,22,24)(H,21,23,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50022556
PNG
(2-Dichloromethyl-4-hydroxy-8-trifluoromethyl-quino...)
Show SMILES Oc1c(C(=O)Nc2nccs2)c(nc2c(cccc12)C(F)(F)F)C(Cl)Cl
Show InChI InChI=1S/C15H8Cl2F3N3O2S/c16-12(17)10-8(13(25)23-14-21-4-5-26-14)11(24)6-2-1-3-7(9(6)22-10)15(18,19)20/h1-5,12H,(H,22,24)(H,21,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367740
PNG
(CHEMBL1907766)
Show SMILES CC[C@H](NC(=O)CC)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F3N4O3S/c1-3-12(25-13(28)4-2)16-14(18(30)27-19-24-8-9-31-19)17(29)10-6-5-7-11(15(10)26-16)20(21,22)23/h5-9,12H,3-4H2,1-2H3,(H,25,28)(H,26,29)(H,24,27,30)/t12-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50022553
PNG
(CHEMBL36075 | Propionic acid 1-[4-hydroxy-3-(thiaz...)
Show SMILES CCC(OC(=O)CC)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O4S/c1-3-12(30-13(27)4-2)16-14(18(29)26-19-24-8-9-31-19)17(28)10-6-5-7-11(15(10)25-16)20(21,22)23/h5-9,12H,3-4H2,1-2H3,(H,25,28)(H,24,26,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50022554
PNG
(4-Hydroxy-8-trifluoromethyl-quinoline-3-carboxylic...)
Show SMILES Oc1c(cnc2c(cccc12)C(F)(F)F)C(=O)Nc1nccs1
Show InChI InChI=1S/C14H8F3N3O2S/c15-14(16,17)9-3-1-2-7-10(9)19-6-8(11(7)21)12(22)20-13-18-4-5-23-13/h1-6H,(H,19,21)(H,18,20,22)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50022553
PNG
(CHEMBL36075 | Propionic acid 1-[4-hydroxy-3-(thiaz...)
Show SMILES CCC(OC(=O)CC)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O4S/c1-3-12(30-13(27)4-2)16-14(18(29)26-19-24-8-9-31-19)17(28)10-6-5-7-11(15(10)25-16)20(21,22)23/h5-9,12H,3-4H2,1-2H3,(H,25,28)(H,24,26,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50022555
PNG
(4-Hydroxy-2,8-bis-trifluoromethyl-quinoline-3-carb...)
Show SMILES Oc1c(C(=O)Nc2nccs2)c(nc2c(cccc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H7F6N3O2S/c16-14(17,18)7-3-1-2-6-9(7)23-11(15(19,20)21)8(10(6)25)12(26)24-13-22-4-5-27-13/h1-5H,(H,23,25)(H,22,24,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50367739
PNG
(CHEMBL1907769)
Show SMILES CC[C@H](N)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F |r|
Show InChI InChI=1S/C17H15F3N4O2S/c1-2-10(21)13-11(15(26)24-16-22-6-7-27-16)14(25)8-4-3-5-9(12(8)23-13)17(18,19)20/h3-7,10H,2,21H2,1H3,(H,23,25)(H,22,24,26)/t10-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50022554
PNG
(4-Hydroxy-8-trifluoromethyl-quinoline-3-carboxylic...)
Show SMILES Oc1c(cnc2c(cccc12)C(F)(F)F)C(=O)Nc1nccs1
Show InChI InChI=1S/C14H8F3N3O2S/c15-14(16,17)9-3-1-2-7-10(9)19-6-8(11(7)21)12(22)20-13-18-4-5-23-13/h1-6H,(H,19,21)(H,18,20,22)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM85245
PNG
(CAS_36322-90-4 | NSC_4856 | Piroxicam)
Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12|
Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of bovine Prostaglandin G/H synthase after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM85245
PNG
(CAS_36322-90-4 | NSC_4856 | Piroxicam)
Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12|
Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Centre de Recherches Roussel Uclaf

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration

J Med Chem 31: 1453-62 (1988)


BindingDB Entry DOI: 10.7270/Q2JM2B7T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%