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PubMed code 11392547

Compile data set for download or QSAR
Found 15 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))		BDBM50100403
PNG
(CHEMBL423296 | {3-[4-(4-Bromo-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C27H20BrClN2O2S/c1-16-22(14-26-30-24(15-34-26)17-3-7-19(28)8-4-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-5-9-20(29)10-6-18/h3-13,15H,14H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100395
PNG
(CHEMBL28155 | [3-(4-Benzo[b]thiophen-3-yl-thiazol-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3csc4ccccc34)c2c1
Show InChI InChI=1S/C29H21ClN2O2S2/c1-17-22(14-28-31-25(16-36-28)24-15-35-27-6-4-3-5-21(24)27)23-13-20(34-2)11-12-26(23)32(17)29(33)18-7-9-19(30)10-8-18/h3-13,15-16H,14H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100401
PNG
((4-Bromo-phenyl)-{3-[4-(4-chloro-phenyl)-thiazol-2...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Br)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C27H20BrClN2O2S/c1-16-22(14-26-30-24(15-34-26)17-5-9-20(29)10-6-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100404
PNG
((4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(4-naphtha...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C31H23ClN2O2S/c1-19-26(17-30-33-28(18-37-30)23-8-7-20-5-3-4-6-22(20)15-23)27-16-25(36-2)13-14-29(27)34(19)31(35)21-9-11-24(32)12-10-21/h3-16,18H,17H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100400
PNG
((4-Bromo-phenyl)-{5-methoxy-2-methyl-3-[4-(4-nitro...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Br)cc3)c(C)c(Cc3nc(cs3)-c3ccc(cc3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C27H20BrN3O4S/c1-16-22(14-26-29-24(15-36-26)17-5-9-20(10-6-17)31(33)34)23-13-21(35-2)11-12-25(23)30(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100396
PNG
(CHEMBL24407 | {3-[4-(3-Bromo-phenyl)-thiazol-2-ylm...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3cccc(Br)c3)c2c1
Show InChI InChI=1S/C27H20BrClN2O2S/c1-16-22(14-26-30-24(15-34-26)18-4-3-5-19(28)12-18)23-13-21(33-2)10-11-25(23)31(16)27(32)17-6-8-20(29)9-7-17/h3-13,15H,14H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100402
PNG
((4-Chloro-phenyl)-{5-methoxy-2-methyl-3-[4-(4-nitr...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(cc3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C27H20ClN3O4S/c1-16-22(14-26-29-24(15-36-26)17-5-9-20(10-6-17)31(33)34)23-13-21(35-2)11-12-25(23)30(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100399
PNG
((4-Chloro-phenyl)-{3-[4-(4-fluoro-phenyl)-thiazol-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C27H20ClFN2O2S/c1-16-22(14-26-30-24(15-34-26)17-5-9-20(29)10-6-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-3-7-19(28)8-4-18/h3-13,15H,14H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100397
PNG
((4-Chloro-phenyl)-{3-[4-(4-chloro-phenyl)-thiazol-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C27H20Cl2N2O2S/c1-16-22(14-26-30-24(15-34-26)17-3-7-19(28)8-4-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-5-9-20(29)10-6-18/h3-13,15H,14H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
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 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100405
PNG
((4-Bromo-phenyl)-{3-[4-(4-bromo-phenyl)-thiazol-2-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Br)cc3)c(C)c(Cc3nc(cs3)-c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C27H20Br2N2O2S/c1-16-22(14-26-30-24(15-34-26)17-3-7-19(28)8-4-17)23-13-21(33-2)11-12-25(23)31(16)27(32)18-5-9-20(29)10-6-18/h3-13,15H,14H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100398
PNG
(4-{2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C28H21ClN2O4S/c1-16-22(14-26-30-24(15-36-26)17-3-5-19(6-4-17)28(33)34)23-13-21(35-2)11-12-25(23)31(16)27(32)18-7-9-20(29)10-8-18/h3-13,15H,14H2,1-2H3,(H,33,34)
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50100394
PNG
(CHEMBL24687 | [3-(2-Amino-thiazol-4-ylmethyl)-5-me...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3csc(N)n3)c2c1
Show InChI InChI=1S/C21H18ClN3O2S/c1-12-17(9-15-11-28-21(23)24-15)18-10-16(27-2)7-8-19(18)25(12)20(26)13-3-5-14(22)6-4-13/h3-8,10-11H,9H2,1-2H3,(H2,23,24)
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n/an/a 390n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
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 1.24E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human recombinant Prostaglandin G/H synthase 1 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50100394
PNG
(CHEMBL24687 | [3-(2-Amino-thiazol-4-ylmethyl)-5-me...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3csc(N)n3)c2c1
Show InChI InChI=1S/C21H18ClN3O2S/c1-12-17(9-15-11-28-21(23)24-15)18-10-16(27-2)7-8-19(18)25(12)20(26)13-3-5-14(22)6-4-13/h3-8,10-11H,9H2,1-2H3,(H2,23,24)
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n/an/a 1.55E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human recombinant Prostaglandin G/H synthase 1 cloned and expressed in baculovirus (Sf9)

Bioorg Med Chem Lett 11: 1325-8 (2001)


BindingDB Entry DOI: 10.7270/Q2PG1R1K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%