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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50032598   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331736
PNG
(2-((R)-9-((S)-1-(3-chlorophenyl)ethyl)-6-fluoro-8-...)
Show SMILES C[C@@H](c1cccc(Cl)c1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-5-3-7-16(24)9-14)26-22-15(10-21(27)28)6-4-8-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h3,5,7,9,11-13,15H,4,6,8,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331738
PNG
(2-((R)-6-fluoro-9-((S)-1-(4-fluorophenyl)ethyl)-8-...)
Show SMILES C[C@@H](c1ccc(F)cc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23F2NO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331733
PNG
(2-((R)-9-((S)-1-(3,4-dichlorophenyl)ethyl)-6-fluor...)
Show SMILES C[C@@H](c1ccc(Cl)c(Cl)c1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22Cl2FNO4S/c1-12(13-6-7-18(24)19(25)8-13)27-22-14(9-21(28)29)4-3-5-16(22)17-10-15(26)11-20(23(17)27)32(2,30)31/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,28,29)/t12-,14+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331735
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-phenyl...)
Show SMILES C[C@@H](c1ccccc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H24FNO4S/c1-14(15-7-4-3-5-8-15)25-22-16(11-21(26)27)9-6-10-18(22)19-12-17(24)13-20(23(19)25)30(2,28)29/h3-5,7-8,12-14,16H,6,9-11H2,1-2H3,(H,26,27)/t14-,16+/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331742
PNG
(2-((R)-9-((R)-1-(4-chlorophenyl)-2-fluoroethyl)-6-...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCC[C@H](CC(O)=O)c3n([C@@H](CF)c3ccc(Cl)cc3)c12 |r|
Show InChI InChI=1S/C23H22ClF2NO4S/c1-32(30,31)20-11-16(26)10-18-17-4-2-3-14(9-21(28)29)22(17)27(23(18)20)19(12-25)13-5-7-15(24)8-6-13/h5-8,10-11,14,19H,2-4,9,12H2,1H3,(H,28,29)/t14-,19+/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331732
PNG
(2-((R)-9-((S)-1-(4-chloro-3-fluorophenyl)ethyl)-6-...)
Show SMILES C[C@@H](c1ccc(Cl)c(F)c1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22ClF2NO4S/c1-12(13-6-7-18(24)19(26)8-13)27-22-14(9-21(28)29)4-3-5-16(22)17-10-15(25)11-20(23(17)27)32(2,30)31/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,28,29)/t12-,14+/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331739
PNG
(2-((R)-9-((S)-1-(4-bromophenyl)ethyl)-6-fluoro-8-(...)
Show SMILES C[C@@H](c1ccc(Br)cc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23BrFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331743
PNG
(2-((R)-9-((R)-1-(4-chlorophenyl)-2,2-difluoroethyl...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCC[C@H](CC(O)=O)c3n([C@@H](C(F)F)c3ccc(Cl)cc3)c12 |r|
Show InChI InChI=1S/C23H21ClF3NO4S/c1-33(31,32)18-11-15(25)10-17-16-4-2-3-13(9-19(29)30)20(16)28(22(17)18)21(23(26)27)12-5-7-14(24)8-6-12/h5-8,10-11,13,21,23H,2-4,9H2,1H3,(H,29,30)/t13-,21-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331734
PNG
(2-((R)-9-((S)-1-(4-chloro-2-fluorophenyl)ethyl)-6-...)
Show SMILES C[C@@H](c1ccc(Cl)cc1F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22ClF2NO4S/c1-12(16-7-6-14(24)9-19(16)26)27-22-13(8-21(28)29)4-3-5-17(22)18-10-15(25)11-20(23(18)27)32(2,30)31/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29)/t12-,13+/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331740
PNG
(2-((R)-9-((S)-1-(4-cyanophenyl)ethyl)-6-fluoro-8-(...)
Show SMILES C[C@@H](c1ccc(cc1)C#N)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23FN2O4S/c1-14(16-8-6-15(13-26)7-9-16)27-23-17(10-22(28)29)4-3-5-19(23)20-11-18(25)12-21(24(20)27)32(2,30)31/h6-9,11-12,14,17H,3-5,10H2,1-2H3,(H,28,29)/t14-,17+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331731
PNG
(2-((R)-9-((S)-1-(4-chlorophenyl)ethyl)-6-fluoro-8-...)
Show SMILES C[C@@H](c1ccc(Cl)cc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331730
PNG
((+/-)-2-(9-(4-chlorobenzyl)-6-fluoro-8-(methylsulf...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H21ClFNO4S/c1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27)
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0.890n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331729
PNG
(2-(9-(1-(4-chlorophenyl)ethyl)-6-fluoro-8-(methyls...)
Show SMILES CC(c1ccc(Cl)cc1)n1c2C(CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O
Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331730
PNG
((+/-)-2-(9-(4-chlorobenzyl)-6-fluoro-8-(methylsulf...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H21ClFNO4S/c1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27)
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2.51n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331729
PNG
(2-(9-(1-(4-chlorophenyl)ethyl)-6-fluoro-8-(methyls...)
Show SMILES CC(c1ccc(Cl)cc1)n1c2C(CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O
Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)
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12n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331741
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(me...)
Show SMILES C[C@@H](c1ccc(cc1)S(C)(=O)=O)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H26FNO6S2/c1-14(15-7-9-18(10-8-15)33(2,29)30)26-23-16(11-22(27)28)5-4-6-19(23)20-12-17(25)13-21(24(20)26)34(3,31)32/h7-10,12-14,16H,4-6,11H2,1-3H3,(H,27,28)/t14-,16+/m0/s1
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16.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331740
PNG
(2-((R)-9-((S)-1-(4-cyanophenyl)ethyl)-6-fluoro-8-(...)
Show SMILES C[C@@H](c1ccc(cc1)C#N)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23FN2O4S/c1-14(16-8-6-15(13-26)7-9-16)27-23-17(10-22(28)29)4-3-5-19(23)20-11-18(25)12-21(24(20)27)32(2,30)31/h6-9,11-12,14,17H,3-5,10H2,1-2H3,(H,28,29)/t14-,17+/m0/s1
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93n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331738
PNG
(2-((R)-6-fluoro-9-((S)-1-(4-fluorophenyl)ethyl)-8-...)
Show SMILES C[C@@H](c1ccc(F)cc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23F2NO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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100n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331739
PNG
(2-((R)-9-((S)-1-(4-bromophenyl)ethyl)-6-fluoro-8-(...)
Show SMILES C[C@@H](c1ccc(Br)cc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23BrFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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106n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331733
PNG
(2-((R)-9-((S)-1-(3,4-dichlorophenyl)ethyl)-6-fluor...)
Show SMILES C[C@@H](c1ccc(Cl)c(Cl)c1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22Cl2FNO4S/c1-12(13-6-7-18(24)19(25)8-13)27-22-14(9-21(28)29)4-3-5-16(22)17-10-15(26)11-20(23(17)27)32(2,30)31/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,28,29)/t12-,14+/m0/s1
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112n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331742
PNG
(2-((R)-9-((R)-1-(4-chlorophenyl)-2-fluoroethyl)-6-...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCC[C@H](CC(O)=O)c3n([C@@H](CF)c3ccc(Cl)cc3)c12 |r|
Show InChI InChI=1S/C23H22ClF2NO4S/c1-32(30,31)20-11-16(26)10-18-17-4-2-3-14(9-21(28)29)22(17)27(23(18)20)19(12-25)13-5-7-15(24)8-6-13/h5-8,10-11,14,19H,2-4,9,12H2,1H3,(H,28,29)/t14-,19+/m1/s1
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130n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331743
PNG
(2-((R)-9-((R)-1-(4-chlorophenyl)-2,2-difluoroethyl...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCC[C@H](CC(O)=O)c3n([C@@H](C(F)F)c3ccc(Cl)cc3)c12 |r|
Show InChI InChI=1S/C23H21ClF3NO4S/c1-33(31,32)18-11-15(25)10-17-16-4-2-3-13(9-19(29)30)20(16)28(22(17)18)21(23(26)27)12-5-7-14(24)8-6-12/h5-8,10-11,13,21,23H,2-4,9H2,1H3,(H,29,30)/t13-,21-/m1/s1
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138n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331731
PNG
(2-((R)-9-((S)-1-(4-chlorophenyl)ethyl)-6-fluoro-8-...)
Show SMILES C[C@@H](c1ccc(Cl)cc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-6-8-16(24)9-7-14)26-22-15(10-21(27)28)4-3-5-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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184n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331732
PNG
(2-((R)-9-((S)-1-(4-chloro-3-fluorophenyl)ethyl)-6-...)
Show SMILES C[C@@H](c1ccc(Cl)c(F)c1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22ClF2NO4S/c1-12(13-6-7-18(24)19(26)8-13)27-22-14(9-21(28)29)4-3-5-16(22)17-10-15(25)11-20(23(17)27)32(2,30)31/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,28,29)/t12-,14+/m0/s1
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200n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331734
PNG
(2-((R)-9-((S)-1-(4-chloro-2-fluorophenyl)ethyl)-6-...)
Show SMILES C[C@@H](c1ccc(Cl)cc1F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22ClF2NO4S/c1-12(16-7-6-14(24)9-19(16)26)27-22-13(8-21(28)29)4-3-5-17(22)18-10-15(25)11-20(23(18)27)32(2,30)31/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29)/t12-,13+/m0/s1
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270n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331736
PNG
(2-((R)-9-((S)-1-(3-chlorophenyl)ethyl)-6-fluoro-8-...)
Show SMILES C[C@@H](c1cccc(Cl)c1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23ClFNO4S/c1-13(14-5-3-7-16(24)9-14)26-22-15(10-21(27)28)6-4-8-18(22)19-11-17(25)12-20(23(19)26)31(2,29)30/h3,5,7,9,11-13,15H,4,6,8,10H2,1-2H3,(H,27,28)/t13-,15+/m0/s1
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292n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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338n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331735
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-phenyl...)
Show SMILES C[C@@H](c1ccccc1)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H24FNO4S/c1-14(15-7-4-3-5-8-15)25-22-16(11-21(26)27)9-6-10-18(22)19-12-17(24)13-20(23(19)25)30(2,28)29/h3-5,7-8,12-14,16H,6,9-11H2,1-2H3,(H,26,27)/t14-,16+/m0/s1
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362n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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830n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid receptor EP3 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331741
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(me...)
Show SMILES C[C@@H](c1ccc(cc1)S(C)(=O)=O)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H26FNO6S2/c1-14(15-7-9-18(10-8-15)33(2,29)30)26-23-16(11-22(27)28)5-4-6-19(23)20-12-17(25)13-21(24(20)26)34(3,31)32/h7-10,12-14,16H,4-6,11H2,1-3H3,(H,27,28)/t14-,16+/m0/s1
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1.48E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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2.27E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid receptor EP2 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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4.32E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid receptor FP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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4.59E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid receptor EP1 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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6.61E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid receptor EP4 receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
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1.55E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid receptor IP receptor


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
UniProtKB/SwissProt

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Article
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n/an/a 2.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid DP1 receptor in human platelet assessed as inhibition of PGD2 induced accumulation of cAMP


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50331737
PNG
(2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-(4-(tr...)
Show SMILES C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.94E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at TP receptor in human platelet assessed as thromboxane A2- induced platelet aggregation


Bioorg Med Chem Lett 20: 7462-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.018
BindingDB Entry DOI: 10.7270/Q2PZ5920
More data for this
Ligand-Target Pair