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PubMed code 15953724

Compile data set for download or QSAR
Found 38 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 E synthase 2


(Homo sapiens (Human))		BDBM50168766
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C
Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168776
PNG
(3-(5-(2'-chloro-2-fluorobiphenyl-4-yl)-1-(4-chloro...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1Cl
Show InChI InChI=1S/C33H28Cl2FNO2/c1-20-27-16-22(23-10-14-26(29(36)17-23)25-6-4-5-7-28(25)35)11-15-30(27)37(19-21-8-12-24(34)13-9-21)31(20)18-33(2,3)32(38)39/h4-17H,18-19H2,1-3H3,(H,38,39)
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168760
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methoxybiphen...)
Show SMILES COc1ccccc1-c1ccc(cc1F)-c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C)c2c1
Show InChI InChI=1S/C34H31ClFNO3/c1-21-28-17-23(24-11-15-26(29(36)18-24)27-7-5-6-8-32(27)40-4)12-16-30(28)37(20-22-9-13-25(35)14-10-22)31(21)19-34(2,3)33(38)39/h5-18H,19-20H2,1-4H3,(H,38,39)
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n/an/a 5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168785
PNG
(3-(5-(2'-acetyl-2-fluorobiphenyl-4-yl)-1-(4-chloro...)
Show SMILES CC(=O)c1ccccc1-c1ccc(cc1F)-c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C)c2c1
Show InChI InChI=1S/C35H31ClFNO3/c1-21-30-17-24(25-11-15-29(31(37)18-25)28-8-6-5-7-27(28)22(2)39)12-16-32(30)38(20-23-9-13-26(36)14-10-23)33(21)19-35(3,4)34(40)41/h5-18H,19-20H2,1-4H3,(H,40,41)
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n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168761
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
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n/an/a 7n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168770
PNG
(3-(1-(4-chlorobenzyl)-5-(2,2'-difluorobiphenyl-4-y...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1F
Show InChI InChI=1S/C33H28ClF2NO2/c1-20-27-16-22(23-10-14-26(29(36)17-23)25-6-4-5-7-28(25)35)11-15-30(27)37(19-21-8-12-24(34)13-9-21)31(20)18-33(2,3)32(38)39/h4-17H,18-19H2,1-3H3,(H,38,39)
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n/an/a 8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168782
PNG
(3-(1-(4-chlorobenzyl)-5-(3-fluoro-4-(pyridin-3-yl)...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1cccnc1
Show InChI InChI=1S/C32H28ClFN2O2/c1-20-27-15-22(23-8-12-26(28(34)16-23)24-5-4-14-35-18-24)9-13-29(27)36(19-21-6-10-25(33)11-7-21)30(20)17-32(2,3)31(37)38/h4-16,18H,17,19H2,1-3H3,(H,37,38)
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n/an/a 12n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168768
PNG
(3-(5-(biphenyl-4-yl)-1-(4-chlorobenzyl)-3-methyl-1...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H30ClNO2/c1-22-29-19-27(26-13-11-25(12-14-26)24-7-5-4-6-8-24)15-18-30(29)35(21-23-9-16-28(34)17-10-23)31(22)20-33(2,3)32(36)37/h4-19H,20-21H2,1-3H3,(H,36,37)
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168787
PNG
(3-(1-(4-chlorobenzyl)-5-(2-chlorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C33H29Cl2NO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
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n/an/a 22n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168788
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-4'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccc(C)cc1
Show InChI InChI=1S/C34H31ClFNO2/c1-21-5-9-24(10-6-21)28-15-11-26(18-30(28)36)25-12-16-31-29(17-25)22(2)32(19-34(3,4)33(38)39)37(31)20-23-7-13-27(35)14-8-23/h5-18H,19-20H2,1-4H3,(H,38,39)
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n/an/a 31n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168777
PNG
(3-[1-(4-Chloro-benzyl)-5-(3-fluoro-4-pyrazin-2-yl-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1cnccn1
Show InChI InChI=1S/C31H27ClFN3O2/c1-19-25-14-21(22-6-10-24(26(33)15-22)27-17-34-12-13-35-27)7-11-28(25)36(18-20-4-8-23(32)9-5-20)29(19)16-31(2,3)30(37)38/h4-15,17H,16,18H2,1-3H3,(H,37,38)
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n/an/a 32n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168763
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-3'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1cccc(C)c1
Show InChI InChI=1S/C34H31ClFNO2/c1-21-6-5-7-26(16-21)28-14-10-25(18-30(28)36)24-11-15-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-8-12-27(35)13-9-23/h5-18H,19-20H2,1-4H3,(H,38,39)
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n/an/a 33n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168762
PNG
(3-[5-Biphenyl-3-yl-1-(4-chloro-benzyl)-3-methyl-1H...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C33H30ClNO2/c1-22-29-19-27(26-11-7-10-25(18-26)24-8-5-4-6-9-24)14-17-30(29)35(21-23-12-15-28(34)16-13-23)31(22)20-33(2,3)32(36)37/h4-19H,20-21H2,1-3H3,(H,36,37)
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n/an/a 160n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168771
PNG
(3-[1-(4-Chloro-benzyl)-3-(3,3-dimethyl-butyryl)-5-...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C(=O)CC(C)(C)C)c2c1
Show InChI InChI=1S/C29H36ClNO3/c1-18(2)20-10-13-23-22(14-20)26(25(32)16-28(3,4)5)24(15-29(6,7)27(33)34)31(23)17-19-8-11-21(30)12-9-19/h8-14,18H,15-17H2,1-7H3,(H,33,34)
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n/an/a 250n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168774
PNG
(3-[3-(2-tert-Butylsulfanyl-acetyl)-1-(4-chloro-ben...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C(=O)CSC(C)(C)C)c2c1
Show InChI InChI=1S/C29H36ClNO3S/c1-18(2)20-10-13-23-22(14-20)26(25(32)17-35-28(3,4)5)24(15-29(6,7)27(33)34)31(23)16-19-8-11-21(30)12-9-19/h8-14,18H,15-17H2,1-7H3,(H,33,34)
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n/an/a 260n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168765
PNG
(3-[3-(4-tert-Butyl-benzyl)-1-(4-chloro-benzyl)-5-i...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(Cc3ccc(cc3)C(C)(C)C)c2c1
Show InChI InChI=1S/C34H40ClNO2/c1-22(2)25-12-17-30-29(19-25)28(18-23-8-13-26(14-9-23)33(3,4)5)31(20-34(6,7)32(37)38)36(30)21-24-10-15-27(35)16-11-24/h8-17,19,22H,18,20-21H2,1-7H3,(H,37,38)
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n/an/a 290n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168779
PNG
(3-[5-tert-Butyl-1-(4-chloro-benzyl)-3-methyl-1H-in...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C25H30ClNO2/c1-16-20-13-18(24(2,3)4)9-12-21(20)27(15-17-7-10-19(26)11-8-17)22(16)14-25(5,6)23(28)29/h7-13H,14-15H2,1-6H3,(H,28,29)
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n/an/a 330n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168790
PNG
(3-[1-(4-Chloro-benzyl)-3-methyl-5-phenyl-1H-indol-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO2/c1-18-23-15-21(20-7-5-4-6-8-20)11-14-24(23)29(17-19-9-12-22(28)13-10-19)25(18)16-27(2,3)26(30)31/h4-15H,16-17H2,1-3H3,(H,30,31)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168769
PNG
(3-[1-(4-Chloro-benzyl)-5-isopropyl-3-phenoxy-1H-in...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(Oc3ccccc3)c2c1
Show InChI InChI=1S/C29H30ClNO3/c1-19(2)21-12-15-25-24(16-21)27(34-23-8-6-5-7-9-23)26(17-29(3,4)28(32)33)31(25)18-20-10-13-22(30)14-11-20/h5-16,19H,17-18H2,1-4H3,(H,32,33)
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n/an/a 650n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168781
PNG
(3-[1-(4-Chloro-benzyl)-5-isopropyl-3-(2-methyl-ben...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C31H32ClNO3/c1-19(2)22-12-15-26-25(16-22)28(29(34)24-9-7-6-8-20(24)3)27(17-31(4,5)30(35)36)33(26)18-21-10-13-23(32)14-11-21/h6-16,19H,17-18H2,1-5H3,(H,35,36)
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n/an/a 900n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50168766
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C
Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
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n/an/a 950n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition against human Thromboxane synthase

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168761
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition against recombinant human mPGES-2

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM50168766
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C
Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against FLAP (5-Lipoxygenase activation protein)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168766
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C
Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition against recombinant human mPGES-2

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM50168761
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against FLAP (5-Lipoxygenase activation protein)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168784
PNG
(3-[1-(4-Chloro-benzyl)-5-isopropyl-3-methyl-1H-ind...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C)c2c1
Show InChI InChI=1S/C24H28ClNO2/c1-15(2)18-8-11-21-20(12-18)16(3)22(13-24(4,5)23(27)28)26(21)14-17-6-9-19(25)10-7-17/h6-12,15H,13-14H2,1-5H3,(H,27,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50168761
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition against human Thromboxane synthase

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168772
PNG
(3-[1-(4-Chloro-benzyl)-5-fluoro-3-methyl-1H-indol-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12
Show InChI InChI=1S/C21H21ClFNO2/c1-13-17-10-16(23)8-9-18(17)24(12-14-4-6-15(22)7-5-14)19(13)11-21(2,3)20(25)26/h4-10H,11-12H2,1-3H3,(H,25,26)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168789
PNG
(3-[1-(4-Chloro-benzyl)-3-methyl-1H-indol-2-yl]-2,2...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C21H22ClNO2/c1-14-17-6-4-5-7-18(17)23(13-15-8-10-16(22)11-9-15)19(14)12-21(2,3)20(24)25/h4-11H,12-13H2,1-3H3,(H,24,25)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168764
PNG
(3-[3-tert-Butylsulfanyl-5-isopropyl-1-(3-phenyl-pr...)
Show SMILES CC(C)c1ccc2n(CCCc3ccccc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C29H39NO2S/c1-20(2)22-15-16-24-23(18-22)26(33-28(3,4)5)25(19-29(6,7)27(31)32)30(24)17-11-14-21-12-9-8-10-13-21/h8-10,12-13,15-16,18,20H,11,14,17,19H2,1-7H3,(H,31,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168786
PNG
(3-[1-(4-Chloro-benzyl)-7-isopropyl-3-methyl-1H-ind...)
Show SMILES CC(C)c1cccc2c(C)c(CC(C)(C)C(O)=O)n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C24H28ClNO2/c1-15(2)19-7-6-8-20-16(3)21(13-24(4,5)23(27)28)26(22(19)20)14-17-9-11-18(25)12-10-17/h6-12,15H,13-14H2,1-5H3,(H,27,28)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168775
PNG
(3-[1-(4-Chloro-benzyl)-5-isopropyl-3-phenyl-1H-ind...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C29H30ClNO2/c1-19(2)22-12-15-25-24(16-22)27(21-8-6-5-7-9-21)26(17-29(3,4)28(32)33)31(25)18-20-10-13-23(30)14-11-20/h5-16,19H,17-18H2,1-4H3,(H,32,33)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168778
PNG
(3-(1-Allyl-3-tert-butylsulfanyl-5-isopropyl-1H-ind...)
Show SMILES CC(C)c1ccc2n(CC=C)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C23H33NO2S/c1-9-12-24-18-11-10-16(15(2)3)13-17(18)20(27-22(4,5)6)19(24)14-23(7,8)21(25)26/h9-11,13,15H,1,12,14H2,2-8H3,(H,25,26)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168783
PNG
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isop...)
Show SMILES COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(ccc2n1Cc1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C28H36ClNO2S/c1-18(2)20-11-14-23-22(15-20)25(33-27(3,4)5)24(16-28(6,7)26(31)32-8)30(23)17-19-9-12-21(29)13-10-19/h9-15,18H,16-17H2,1-8H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168780
PNG
(3-(3-tert-Butylsulfanyl-5-isopropyl-1-methyl-1H-in...)
Show SMILES CC(C)c1ccc2n(C)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C21H31NO2S/c1-13(2)14-9-10-16-15(11-14)18(25-20(3,4)5)17(22(16)8)12-21(6,7)19(23)24/h9-11,13H,12H2,1-8H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168767
PNG
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(=O)ON)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H35ClN2O2S/c1-17(2)19-10-13-22-21(14-19)24(33-26(3,4)5)23(15-27(6,7)25(31)32-29)30(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16,29H2,1-7H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))		BDBM50168773
PNG
(3-(3-tert-Butylsulfanyl-5-isopropyl-1H-indol-2-yl)...)
Show SMILES CC(C)c1ccc2[nH]c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C20H29NO2S/c1-12(2)13-8-9-15-14(10-13)17(24-19(3,4)5)16(21-15)11-20(6,7)18(22)23/h8-10,12,21H,11H2,1-7H3,(H,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)

Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%