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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50032707   
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 D2 receptor 2


(Homo sapiens (Human))
BDBM50333495
PNG
((R)-2-(2-chloro-8-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)nc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19ClFN3O4S/c1-24(30(28,29)14-5-2-12(22)3-6-14)13-4-8-17-16(10-19(26)27)15-7-9-18(21)23-20(15)25(17)11-13/h2-3,5-7,9,13H,4,8,10-11H2,1H3,(H,26,27)/t13-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333496
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-2-(4...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(nc3n2C1)-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23F2N3O4S/c1-30(36(34,35)20-9-6-18(28)7-10-20)19-8-13-24-22(14-25(32)33)21-11-12-23(29-26(21)31(24)15-19)16-2-4-17(27)5-3-16/h2-7,9-12,19H,8,13-15H2,1H3,(H,32,33)/t19-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333494
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-18-17(11-19(25)26)16-3-2-10-22-20(16)24(18)12-14/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333497
PNG
(2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333500
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclopropanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN3O3/c1-27(23(31)24(10-11-24)15-4-6-16(25)7-5-15)17-8-9-20-19(13-21(29)30)18-3-2-12-26-22(18)28(20)14-17/h2-7,12,17H,8-11,13-14H2,1H3,(H,29,30)/t17-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333491
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclopentanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O3/c1-29(25(33)26(12-2-3-13-26)17-6-8-18(27)9-7-17)19-10-11-22-21(15-23(31)32)20-5-4-14-28-24(20)30(22)16-19/h4-9,14,19H,2-3,10-13,15-16H2,1H3,(H,31,32)/t19-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333499
PNG
((R)-2-(8-(2-(4-fluorophenyl)-N,2-dimethylpropanami...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C(C)(C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H26FN3O3/c1-24(2,15-6-8-16(25)9-7-15)23(31)27(3)17-10-11-20-19(13-21(29)30)18-5-4-12-26-22(18)28(20)14-17/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,29,30)/t17-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333501
PNG
(2-((8R)-8-(1-(4-fluorophenyl)-N,2,2-trimethylcyclo...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1(C)C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O3/c1-25(2)15-26(25,16-6-8-17(27)9-7-16)24(33)29(3)18-10-11-21-20(13-22(31)32)19-5-4-12-28-23(19)30(21)14-18/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,31,32)/t18-,26?/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333503
PNG
((R)-2-(8-(4-(4-fluorophenyl)-N-methyltetrahydro-2H...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O4/c1-29(25(33)26(10-13-34-14-11-26)17-4-6-18(27)7-5-17)19-8-9-22-21(15-23(31)32)20-3-2-12-28-24(20)30(22)16-19/h2-7,12,19H,8-11,13-16H2,1H3,(H,31,32)/t19-/m1/s1
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12n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333498
PNG
(2-((R)-8-((S)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17+/m0/s1
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21n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333493
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccncc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-20(25)26)16-8-9-22-11-19(16)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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139n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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373n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333496
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-2-(4...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(nc3n2C1)-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23F2N3O4S/c1-30(36(34,35)20-9-6-18(28)7-10-20)19-8-13-24-22(14-25(32)33)21-11-12-23(29-26(21)31(24)15-19)16-2-4-17(27)5-3-16/h2-7,9-12,19H,8,13-15H2,1H3,(H,32,33)/t19-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50296987
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-17-16(11-19(25)26)20-18(24(17)12-14)3-2-10-22-20/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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>1.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333492
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cnccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-16(10-20(25)26)17-11-22-9-8-19(17)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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>3.40E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333500
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclopropanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN3O3/c1-27(23(31)24(10-11-24)15-4-6-16(25)7-5-15)17-8-9-20-19(13-21(29)30)18-3-2-12-26-22(18)28(20)14-17/h2-7,12,17H,8-11,13-14H2,1H3,(H,29,30)/t17-/m1/s1
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>3.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333496
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-2-(4...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(nc3n2C1)-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23F2N3O4S/c1-30(36(34,35)20-9-6-18(28)7-10-20)19-8-13-24-22(14-25(32)33)21-11-12-23(29-26(21)31(24)15-19)16-2-4-17(27)5-3-16/h2-7,9-12,19H,8,13-15H2,1H3,(H,32,33)/t19-/m1/s1
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>3.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333491
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclopentanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O3/c1-29(25(33)26(12-2-3-13-26)17-6-8-18(27)9-7-17)19-10-11-22-21(15-23(31)32)20-5-4-14-28-24(20)30(22)16-19/h4-9,14,19H,2-3,10-13,15-16H2,1H3,(H,31,32)/t19-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333501
PNG
(2-((8R)-8-(1-(4-fluorophenyl)-N,2,2-trimethylcyclo...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1(C)C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O3/c1-25(2)15-26(25,16-6-8-17(27)9-7-16)24(33)29(3)18-10-11-21-20(13-22(31)32)19-5-4-12-28-23(19)30(21)14-18/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,31,32)/t18-,26?/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333503
PNG
((R)-2-(8-(4-(4-fluorophenyl)-N-methyltetrahydro-2H...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O4/c1-29(25(33)26(10-13-34-14-11-26)17-4-6-18(27)7-5-17)19-8-9-22-21(15-23(31)32)20-3-2-12-28-24(20)30(22)16-19/h2-7,12,19H,8-11,13-16H2,1H3,(H,31,32)/t19-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333492
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cnccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-16(10-20(25)26)17-11-22-9-8-19(17)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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6.73E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333500
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclopropanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN3O3/c1-27(23(31)24(10-11-24)15-4-6-16(25)7-5-15)17-8-9-20-19(13-21(29)30)18-3-2-12-26-22(18)28(20)14-17/h2-7,12,17H,8-11,13-14H2,1H3,(H,29,30)/t17-/m1/s1
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>6.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333492
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cnccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-16(10-20(25)26)17-11-22-9-8-19(17)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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>6.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50296987
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-17-16(11-19(25)26)20-18(24(17)12-14)3-2-10-22-20/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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>7.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296987
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-17-16(11-19(25)26)20-18(24(17)12-14)3-2-10-22-20/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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7.19E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
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>7.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333503
PNG
((R)-2-(8-(4-(4-fluorophenyl)-N-methyltetrahydro-2H...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O4/c1-29(25(33)26(10-13-34-14-11-26)17-4-6-18(27)7-5-17)19-8-9-22-21(15-23(31)32)20-3-2-12-28-24(20)30(22)16-19/h2-7,12,19H,8-11,13-16H2,1H3,(H,31,32)/t19-/m1/s1
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>7.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333491
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclopentanec...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O3/c1-29(25(33)26(12-2-3-13-26)17-6-8-18(27)9-7-17)19-10-11-22-21(15-23(31)32)20-5-4-14-28-24(20)30(22)16-19/h4-9,14,19H,2-3,10-13,15-16H2,1H3,(H,31,32)/t19-/m1/s1
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>7.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333501
PNG
(2-((8R)-8-(1-(4-fluorophenyl)-N,2,2-trimethylcyclo...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1(C)C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O3/c1-25(2)15-26(25,16-6-8-17(27)9-7-16)24(33)29(3)18-10-11-21-20(13-22(31)32)19-5-4-12-28-23(19)30(21)14-18/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,31,32)/t18-,26?/m1/s1
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>7.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333499
PNG
((R)-2-(8-(2-(4-fluorophenyl)-N,2-dimethylpropanami...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C(C)(C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H26FN3O3/c1-24(2,15-6-8-16(25)9-7-15)23(31)27(3)17-10-11-20-19(13-21(29)30)18-5-4-12-26-22(18)28(20)14-17/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,29,30)/t17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333498
PNG
(2-((R)-8-((S)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17+/m0/s1
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>1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333493
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccncc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-20(25)26)16-8-9-22-11-19(16)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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>1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333495
PNG
((R)-2-(2-chloro-8-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)nc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19ClFN3O4S/c1-24(30(28,29)14-5-2-12(22)3-6-14)13-4-8-17-16(10-19(26)27)15-7-9-18(21)23-20(15)25(17)11-13/h2-3,5-7,9,13H,4,8,10-11H2,1H3,(H,26,27)/t13-/m1/s1
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>1.80E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333499
PNG
((R)-2-(8-(2-(4-fluorophenyl)-N,2-dimethylpropanami...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C(C)(C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H26FN3O3/c1-24(2,15-6-8-16(25)9-7-15)23(31)27(3)17-10-11-20-19(13-21(29)30)18-5-4-12-26-22(18)28(20)14-17/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,29,30)/t17-/m1/s1
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>2.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333498
PNG
(2-((R)-8-((S)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17+/m0/s1
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>2.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333494
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-18-17(11-19(25)26)16-3-2-10-22-20(16)24(18)12-14/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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>2.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333493
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccncc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-20(25)26)16-8-9-22-11-19(16)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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>2.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333495
PNG
((R)-2-(2-chloro-8-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)nc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19ClFN3O4S/c1-24(30(28,29)14-5-2-12(22)3-6-14)13-4-8-17-16(10-19(26)27)15-7-9-18(21)23-20(15)25(17)11-13/h2-3,5-7,9,13H,4,8,10-11H2,1H3,(H,26,27)/t13-/m1/s1
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>2.70E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333497
PNG
(2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17-/m1/s1
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>3.80E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50333494
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-18-17(11-19(25)26)16-3-2-10-22-20(16)24(18)12-14/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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>4.70E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50333497
PNG
(2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17-/m1/s1
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>7.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333497
PNG
(2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human eosinophil assessed as effect of cellular shape change by EOS assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human eosinophil assessed as effect of cellular shape change by EOS assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296980
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human eosinophil assessed as effect of cellular shape change by EOS assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333499
PNG
((R)-2-(8-(2-(4-fluorophenyl)-N,2-dimethylpropanami...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C(C)(C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H26FN3O3/c1-24(2,15-6-8-16(25)9-7-15)23(31)27(3)17-10-11-20-19(13-21(29)30)18-5-4-12-26-22(18)28(20)14-17/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,29,30)/t17-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human eosinophil assessed as effect of cellular shape change by EOS assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50333501
PNG
(2-((8R)-8-(1-(4-fluorophenyl)-N,2,2-trimethylcyclo...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CC1(C)C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN3O3/c1-25(2)15-26(25,16-6-8-17(27)9-7-16)24(33)29(3)18-10-11-21-20(13-22(31)32)19-5-4-12-28-23(19)30(21)14-18/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,31,32)/t18-,26?/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human eosinophil assessed as effect of cellular shape change by EOS assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
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