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PubMed code 17335184

Compile data set for download or QSAR
Found 26 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 2


(Homo sapiens (Human))		BDBM50131622
PNG
(4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-1-(4-methan...)
Show SMILES COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14ClFN2O3S/c1-24-15-8-3-11(9-14(15)19)16-17(18)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50131593
PNG
(4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol...)
Show SMILES COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
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n/an/a 100n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50131593
PNG
(4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol...)
Show SMILES COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50131622
PNG
(4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-1-(4-methan...)
Show SMILES COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14ClFN2O3S/c1-24-15-8-3-11(9-14(15)19)16-17(18)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206929
PNG
(2-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C18H15ClFN3O6S/c1-30(26,27)14-5-3-13(4-6-14)22-11-21-18(19)17(22)12-2-7-16(15(20)10-12)28-8-9-29-23(24)25/h2-7,10-11H,8-9H2,1H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206928
PNG
(3-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H17ClFN3O6S/c1-31(27,28)15-6-4-14(5-7-15)23-12-22-19(20)18(23)13-3-8-17(16(21)11-13)29-9-2-10-30-24(25)26/h3-8,11-12H,2,9-10H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206927
PNG
(3-{4-[1-(4-(aminosulfonyl)phenyl)-4-chloro-1H-imid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C18H16ClFN4O6S/c19-18-17(23(11-22-18)13-3-5-14(6-4-13)31(21,27)28)12-2-7-16(15(20)10-12)29-8-1-9-30-24(25)26/h2-7,10-11H,1,8-9H2,(H2,21,27,28)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206930
PNG
(4-{4-chloro-5-[3-fluoro-4-(2-hydroxyethoxy)phenyl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO)c(F)c1
Show InChI InChI=1S/C17H15ClFN3O4S/c18-17-16(11-1-6-15(14(19)9-11)26-8-7-23)22(10-21-17)12-2-4-13(5-3-12)27(20,24)25/h1-6,9-10,23H,7-8H2,(H2,20,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206933
PNG
(3-{4-[1-(4-(aminosulfonyl)phenyl)-4-chloro-1H-imid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C17H14ClFN4O6S/c18-17-16(11-1-6-15(14(19)9-11)28-7-8-29-23(24)25)22(10-21-17)12-2-4-13(5-3-12)30(20,26)27/h1-6,9-10H,7-8H2,(H2,20,26,27)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206925
PNG
(2-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO)c(F)c1
Show InChI InChI=1S/C18H16ClFN2O4S/c1-27(24,25)14-5-3-13(4-6-14)22-11-21-18(19)17(22)12-2-7-16(15(20)10-12)26-9-8-23/h2-7,10-11,23H,8-9H2,1H3
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n/an/a 5.60E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 6.40E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206931
PNG
(3-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H16ClFN4O9S/c1-35(30,31)15-5-3-13(4-6-15)23-11-22-19(20)18(23)12-2-7-17(16(21)8-12)32-9-14(34-25(28)29)10-33-24(26)27/h2-8,11,14H,9-10H2,1H3
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n/an/a 7.60E+4n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206932
PNG
(3-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO)c(F)c1
Show InChI InChI=1S/C19H18ClFN2O4S/c1-28(25,26)15-6-4-14(5-7-15)23-12-22-19(20)18(23)13-3-8-17(16(21)11-13)27-10-2-9-24/h3-8,11-12,24H,2,9-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206925
PNG
(2-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO)c(F)c1
Show InChI InChI=1S/C18H16ClFN2O4S/c1-27(24,25)14-5-3-13(4-6-14)22-11-21-18(19)17(22)12-2-7-16(15(20)10-12)26-9-8-23/h2-7,10-11,23H,8-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206933
PNG
(3-{4-[1-(4-(aminosulfonyl)phenyl)-4-chloro-1H-imid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C17H14ClFN4O6S/c18-17-16(11-1-6-15(14(19)9-11)28-7-8-29-23(24)25)22(10-21-17)12-2-4-13(5-3-12)30(20,26)27/h1-6,9-10H,7-8H2,(H2,20,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206932
PNG
(3-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO)c(F)c1
Show InChI InChI=1S/C19H18ClFN2O4S/c1-28(25,26)15-6-4-14(5-7-15)23-12-22-19(20)18(23)13-3-8-17(16(21)11-13)27-10-2-9-24/h3-8,11-12,24H,2,9-10H2,1H3
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Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206926
PNG
(4-{4-chloro-5-[3-fluoro-4-(2-hydroxypropoxy)phenyl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO)c(F)c1
Show InChI InChI=1S/C18H17ClFN3O4S/c19-18-17(12-2-7-16(15(20)10-12)27-9-1-8-24)23(11-22-18)13-3-5-14(6-4-13)28(21,25)26/h2-7,10-11,24H,1,8-9H2,(H2,21,25,26)
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Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206927
PNG
(3-{4-[1-(4-(aminosulfonyl)phenyl)-4-chloro-1H-imid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C18H16ClFN4O6S/c19-18-17(23(11-22-18)13-3-5-14(6-4-13)31(21,27)28)12-2-7-16(15(20)10-12)29-8-1-9-30-24(25)26/h2-7,10-11H,1,8-9H2,(H2,21,27,28)
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Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206929
PNG
(2-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C18H15ClFN3O6S/c1-30(26,27)14-5-3-13(4-6-14)22-11-21-18(19)17(22)12-2-7-16(15(20)10-12)28-8-9-29-23(24)25/h2-7,10-11H,8-9H2,1H3
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Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206931
PNG
(3-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H16ClFN4O9S/c1-35(30,31)15-5-3-13(4-6-15)23-11-22-19(20)18(23)12-2-7-17(16(21)8-12)32-9-14(34-25(28)29)10-33-24(26)27/h2-8,11,14H,9-10H2,1H3
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Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50206926
PNG
(4-{4-chloro-5-[3-fluoro-4-(2-hydroxypropoxy)phenyl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO)c(F)c1
Show InChI InChI=1S/C18H17ClFN3O4S/c19-18-17(12-2-7-16(15(20)10-12)27-9-1-8-24)23(11-22-18)13-3-5-14(6-4-13)28(21,25)26/h2-7,10-11,24H,1,8-9H2,(H2,21,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206930
PNG
(4-{4-chloro-5-[3-fluoro-4-(2-hydroxyethoxy)phenyl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCO)c(F)c1
Show InChI InChI=1S/C17H15ClFN3O4S/c18-17-16(11-1-6-15(14(19)9-11)26-8-7-23)22(10-21-17)12-2-4-13(5-3-12)27(20,24)25/h1-6,9-10,23H,7-8H2,(H2,20,24,25)
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Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50206928
PNG
(3-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(OCCCO[N+]([O-])=O)c(F)c1
Show InChI InChI=1S/C19H17ClFN3O6S/c1-31(27,28)15-6-4-14(5-7-15)23-12-22-19(20)18(23)13-3-8-17(16(21)11-13)29-9-2-10-30-24(25)26/h3-8,11-12H,2,9-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr

J Med Chem 50: 1449-57 (2007)


Article DOI: 10.1021/jm0607247
BindingDB Entry DOI: 10.7270/Q2Q23ZW6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%