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PubMed code 10197959

Compile data set for download or QSAR
Found 92 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))		BDBM50044072
PNG
(CHEMBL16434 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O2S/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 6.10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		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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n/an/a 6.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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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n/an/a 8.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
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n/an/a 27n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044059
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-thiazo...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044080
PNG
(2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11|
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)
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n/an/a 69n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50029616
PNG
(5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)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 70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044081
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-oxazol...)
Show SMILES CC(C)(C)c1cc(\C=C2/OC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 71n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
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n/an/a 83n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044081
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-oxazol...)
Show SMILES CC(C)(C)c1cc(\C=C2/OC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 95n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044075
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NO)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:12|
Show InChI InChI=1S/C18H24N2O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)19-16(20-23)24-13/h7-9,21,23H,1-6H3,(H,19,20,22)
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n/an/a 170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075510
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3|
Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)
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n/an/a 170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044060
PNG
(CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...)
Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)
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n/an/a 180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075505
PNG
(CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...)
Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13|
Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)
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n/an/a 190n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075505
PNG
(CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...)
Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13|
Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044079
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC#N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:13|
Show InChI InChI=1S/C19H23N3O2S/c1-18(2,3)12-7-11(8-13(15(12)23)19(4,5)6)9-14-16(24)22-17(25-14)21-10-20/h7-9,23H,1-6H3,(H,21,22,24)
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n/an/a 230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044072
PNG
(CHEMBL16434 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O2S/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
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n/an/a 260n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075511
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CCONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,t:4|
Show InChI InChI=1S/C20H28N2O3S/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)
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n/an/a 270n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50029616
PNG
(5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)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 310n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044065
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-2-thio...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO2S2/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 390n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044072
PNG
(CHEMBL16434 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O2S/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 430n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044074
PNG
(CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O3/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 440n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044060
PNG
(CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...)
Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)
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n/an/a 460n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075515
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(O1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO3S/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-14)24-7/h8-10,21H,1-7H3/b14-10-
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n/an/a 540n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075506
PNG
(5-[1-(4-Hydroxy-3,5-diisopropyl-phenyl)-meth-(Z)-y...)
Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(C(C)C)c(O)c(c1)C(C)C |w:9.10,t:3|
Show InChI InChI=1S/C17H22N2O3S/c1-9(2)12-6-11(7-13(10(3)4)15(12)20)8-14-16(21)18-17(23-14)19-22-5/h6-10,20H,1-5H3,(H,18,19,21)
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n/an/a 570n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044060
PNG
(CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...)
Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)
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n/an/a 590n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044080
PNG
(2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11|
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)
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n/an/a 600n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075513
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CCONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,t:4|
Show InChI InChI=1S/C20H28N2O4/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)
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n/an/a 650n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
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n/an/a 750n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075509
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3|
Show InChI InChI=1S/C19H26N2O4/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)
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n/an/a 790n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
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n/an/a 990n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044081
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-oxazol...)
Show SMILES CC(C)(C)c1cc(\C=C2/OC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044074
PNG
(CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O3/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044075
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NO)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:12|
Show InChI InChI=1S/C18H24N2O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)19-16(20-23)24-13/h7-9,21,23H,1-6H3,(H,19,20,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044065
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-2-thio...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO2S2/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075512
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CON(C)C1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:4|
Show InChI InChI=1S/C20H28N2O3S/c1-19(2,3)13-9-12(10-14(16(13)23)20(4,5)6)11-15-17(24)21-18(26-15)22(7)25-8/h9-11,23H,1-8H3/b15-11-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075516
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O3S/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075515
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(O1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO3S/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-14)24-7/h8-10,21H,1-7H3/b14-10-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50044076
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075510
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3|
Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044076
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075505
PNG
(CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...)
Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13|
Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075508
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075516
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O3S/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075505
PNG
(CHEMBL16251 | N-{5-[1-(4-Hydroxy-3,5-diisopropyl-p...)
Show SMILES CC(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(C(C)C)c1O |w:6.5,c:13|
Show InChI InChI=1S/C17H22N4O2S/c1-8(2)11-5-10(6-12(9(3)4)14(11)22)7-13-15(23)20-17(24-13)21-16(18)19/h5-9,22H,1-4H3,(H4,18,19,20,21,23)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075511
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CCONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,t:4|
Show InChI InChI=1S/C20H28N2O3S/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075513
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CCONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,t:4|
Show InChI InChI=1S/C20H28N2O4/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075508
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044074
PNG
(CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O3/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044059
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-thiazo...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 4.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044074
PNG
(CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O3/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		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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n/an/a 5.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075512
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CON(C)C1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:4|
Show InChI InChI=1S/C20H28N2O3S/c1-19(2,3)13-9-12(10-14(16(13)23)20(4,5)6)11-15-17(24)21-18(26-15)22(7)25-8/h9-11,23H,1-8H3/b15-11-
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n/an/a 5.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075515
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(O1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO3S/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-14)24-7/h8-10,21H,1-7H3/b14-10-
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n/an/a 6.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075509
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3|
Show InChI InChI=1S/C19H26N2O4/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044075
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NO)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:12|
Show InChI InChI=1S/C18H24N2O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)19-16(20-23)24-13/h7-9,21,23H,1-6H3,(H,19,20,22)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044059
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-thiazo...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 9.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044060
PNG
(CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...)
Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044076
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-
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n/an/a 1.44E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075512
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CON(C)C1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:4|
Show InChI InChI=1S/C20H28N2O3S/c1-19(2,3)13-9-12(10-14(16(13)23)20(4,5)6)11-15-17(24)21-18(26-15)22(7)25-8/h9-11,23H,1-8H3/b15-11-
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n/an/a 1.80E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075508
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044065
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-2-thio...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO2S2/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a>2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075510
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3|
Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 1 of human platelet rich plasma; Not active

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50075506
PNG
(5-[1-(4-Hydroxy-3,5-diisopropyl-phenyl)-meth-(Z)-y...)
Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(C(C)C)c(O)c(c1)C(C)C |w:9.10,t:3|
Show InChI InChI=1S/C17H22N2O3S/c1-9(2)12-6-11(7-13(10(3)4)15(12)20)8-14-16(21)18-17(23-14)19-22-5/h6-10,20H,1-5H3,(H,18,19,21)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075513
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CCONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,t:4|
Show InChI InChI=1S/C20H28N2O4/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075516
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O3S/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 1 of human platelet rich plasma; Not active

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075506
PNG
(5-[1-(4-Hydroxy-3,5-diisopropyl-phenyl)-meth-(Z)-y...)
Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(C(C)C)c(O)c(c1)C(C)C |w:9.10,t:3|
Show InChI InChI=1S/C17H22N2O3S/c1-9(2)12-6-11(7-13(10(3)4)15(12)20)8-14-16(21)18-17(23-14)19-22-5/h6-10,20H,1-5H3,(H,18,19,21)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075506
PNG
(5-[1-(4-Hydroxy-3,5-diisopropyl-phenyl)-meth-(Z)-y...)
Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(C(C)C)c(O)c(c1)C(C)C |w:9.10,t:3|
Show InChI InChI=1S/C17H22N2O3S/c1-9(2)12-6-11(7-13(10(3)4)15(12)20)8-14-16(21)18-17(23-14)19-22-5/h6-10,20H,1-5H3,(H,18,19,21)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075509
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3|
Show InChI InChI=1S/C19H26N2O4/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value against recombinant human Prostaglandin G/H synthase 2 at 10 uM; not active

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044079
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC#N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:13|
Show InChI InChI=1S/C19H23N3O2S/c1-18(2,3)12-7-11(8-13(15(12)23)19(4,5)6)9-14-16(24)22-17(25-14)21-10-20/h7-9,23H,1-6H3,(H,21,22,24)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50029616
PNG
(5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)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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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075511
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CCONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,t:4|
Show InChI InChI=1S/C20H28N2O3S/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 1 of human platelet rich plasma; Not active

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075509
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3|
Show InChI InChI=1S/C19H26N2O4/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044072
PNG
(CHEMBL16434 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
Show InChI InChI=1S/C19H26N4O2S/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044065
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-2-thio...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO2S2/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 2.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075508
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2OC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O4/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044081
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-oxazol...)
Show SMILES CC(C)(C)c1cc(\C=C2/OC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 3.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044059
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-thiazo...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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n/an/a 4.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50075512
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CON(C)C1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:4|
Show InChI InChI=1S/C20H28N2O3S/c1-19(2,3)13-9-12(10-14(16(13)23)20(4,5)6)11-15-17(24)21-18(26-15)22(7)25-8/h9-11,23H,1-8H3/b15-11-
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n/an/a 5.10E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044075
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NO)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:12|
Show InChI InChI=1S/C18H24N2O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)19-16(20-23)24-13/h7-9,21,23H,1-6H3,(H,19,20,22)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044079
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC#N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:13|
Show InChI InChI=1S/C19H23N3O2S/c1-18(2,3)12-7-11(8-13(15(12)23)19(4,5)6)9-14-16(24)22-17(25-14)21-10-20/h7-9,23H,1-6H3,(H,21,22,24)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50044076
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-
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n/an/a 6.30E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50075513
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CCONC1=NC(=O)C(O1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,t:4|
Show InChI InChI=1S/C20H28N2O4/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)
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n/an/a 7.90E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%