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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'clark' and Initial = 'rc'   
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))
BDBM50296979
PNG
(2-((3R)-3-(4-fluoro-N-methylphenylsulfonamido)-3,4...)
Show SMILES CN([C@@H]1CCC2=C(C1)C1C=CC=CC1N2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r,c:5,10,12|
Show InChI InChI=1S/C21H23FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15,17,19H,8,11-13H2,1H3,(H,25,26)/t15-,17?,19?/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296979
PNG
(2-((3R)-3-(4-fluoro-N-methylphenylsulfonamido)-3,4...)
Show SMILES CN([C@@H]1CCC2=C(C1)C1C=CC=CC1N2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r,c:5,10,12|
Show InChI InChI=1S/C21H23FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15,17,19H,8,11-13H2,1H3,(H,25,26)/t15-,17?,19?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
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 6n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296983
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ncccc1n2CC(O)=O)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(11-14)20-18(3-2-10-22-20)24(17)12-19(25)26/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296977
PNG
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)
Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296983
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ncccc1n2CC(O)=O)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(11-14)20-18(3-2-10-22-20)24(17)12-19(25)26/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from thromboxane receptor in human platelet membrane


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296981
PNG
((R)-2-(3-(4-fluoro-N-methylphenylsulfonamido)-1,2,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-8-5-14(22)6-9-16)15-7-10-17-18(13-21(25)26)19-4-2-3-11-24(19)20(17)12-15/h2-6,8-9,11,15H,7,10,12-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
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 20n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649657
PNG
(US20240041837, Example 30)
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n/an/a 36n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296978
PNG
(2-(4,6-bis(dimethylamino)-2-(4-(4-(trifluoromethyl...)
Show SMILES CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)nc(N(C)C)c1CC(O)=O
Show InChI InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)
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n/an/a 42n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296977
PNG
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)
Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
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n/an/a 44n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296981
PNG
((R)-2-(3-(4-fluoro-N-methylphenylsulfonamido)-1,2,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-8-5-14(22)6-9-16)15-7-10-17-18(13-21(25)26)19-4-2-3-11-24(19)20(17)12-15/h2-6,8-9,11,15H,7,10,12-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM617517
PNG
(US20240041837, Example 11 | US20240041837, Example...)
Show SMILES CC(=O)OCCCCS(=O)(=O)c1sc2cc(C)cc(-c3ccccc3)c2c1N
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n/an/a 48n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM617517
PNG
(US20240041837, Example 11 | US20240041837, Example...)
Show SMILES CC(=O)OCCCCS(=O)(=O)c1sc2cc(C)cc(-c3ccccc3)c2c1N
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n/an/a 58n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM617517
PNG
(US20240041837, Example 11 | US20240041837, Example...)
Show SMILES CC(=O)OCCCCS(=O)(=O)c1sc2cc(C)cc(-c3ccccc3)c2c1N
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n/an/a 58n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649656
PNG
(US20240041837, Example 29)
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n/an/a 59n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296982
PNG
((R)-2-(9-(4-fluoro-N-methylphenylsulfonamido)-7,8,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)n3ccccc3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-8-5-14(22)6-9-16)15-7-10-17-18(12-15)19-4-2-3-11-24(19)20(17)13-21(25)26/h2-6,8-9,11,15H,7,10,12-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649648
PNG
(US20240041837, Example 22)
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n/an/a 64n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649633
PNG
(US20240041837, Example 7)
PDB

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n/an/a 77n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649643
PNG
(US20240041837, Example 17)
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n/an/a 83n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296982
PNG
((R)-2-(9-(4-fluoro-N-methylphenylsulfonamido)-7,8,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)n3ccccc3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-8-5-14(22)6-9-16)15-7-10-17-18(12-15)19-4-2-3-11-24(19)20(17)13-21(25)26/h2-6,8-9,11,15H,7,10,12-13H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296986
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(C1)c1nccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H19FN4O4S/c1-23(29(27,28)14-5-2-12(20)3-6-14)13-4-7-16-15(10-13)18-19(22-9-8-21-18)24(16)11-17(25)26/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,25,26)/t13-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649631
PNG
(US20240041837, Example 4)
PDB

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n/an/a 110n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649645
PNG
(US20240041837, Example 19)
PDB

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n/an/a 119n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649641
PNG
(US20240041837, Example 15)
PDB

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n/an/a 122n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296986
PNG
((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(C1)c1nccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H19FN4O4S/c1-23(29(27,28)14-5-2-12(20)3-6-14)13-4-7-16-15(10-13)18-19(22-9-8-21-18)24(16)11-17(25)26/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H,25,26)/t13-/m1/s1
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n/an/a 127n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649632
PNG
(US20240041837, Example 5)
PDB

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n/an/a 137n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649654
PNG
(US20240041837, Example 28)
PDB

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n/an/a 140n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649642
PNG
(US20240041837, Example 16)
PDB

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n/an/a 141n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649639
PNG
(US20240041837, Example 13)
PDB

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n/an/a 197n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649636
PNG
(US20240041837, Example 10)
PDB

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n/an/a 211n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649640
PNG
(US20240041837, Example 14)
PDB

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n/an/a 234n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649638
PNG
(US20240041837, Example 12)
PDB

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n/an/a 302n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 311n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649629
PNG
(US20240041837, Example 2)
PDB

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n/an/a 324n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649628
PNG
(US20240041837, Example 1)
PDB

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n/an/a 346n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296985
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1cccnc1n2CC(O)=O)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(11-14)16-3-2-10-22-20(16)24(18)12-19(25)26/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a 457n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649634
PNG
(US20240041837, Example 8)
PDB

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n/an/a 487n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649635
PNG
(US20240041837, Example 9)
PDB

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n/an/a 548n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649647
PNG
(US20240041837, Example 21)
PDB

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n/an/a 610n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649649
PNG
(US20240041837, Example 23)
PDB

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n/an/a 659n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296978
PNG
(2-(4,6-bis(dimethylamino)-2-(4-(4-(trifluoromethyl...)
Show SMILES CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)nc(N(C)C)c1CC(O)=O
Show InChI InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)
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n/an/a 744n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649644
PNG
(US20240041837, Example 18)
PDB

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n/an/a 750n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 754n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)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(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649646
PNG
(US20240041837, Example 20)
PDB

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n/an/a 896n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)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(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
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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n/an/a 1.00E+3n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from prostaglandin D1 receptor in human platelet membrane


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM649652
PNG
(US20240041837, Example 26)
PDB

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n/an/a 1.24E+3n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US10869871 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G6N
More data for this
Ligand-Target Pair
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