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Compile Data Set for Download or QSAR

Found 275 hits with Last Name = 'stearns' and Initial = 'ba'   
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))
BDBM50357310
PNG
(CHEMBL1916710)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(F)cc1
Show InChI InChI=1S/C27H25F4NO5/c1-3-32(26(35)37-16-17-4-8-21(28)9-5-17)15-19-14-20(27(29,30)31)7-10-22(19)23-12-18(13-25(33)34)6-11-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 2n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357308
PNG
(CHEMBL1916707)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-18-5-4-6-21(28)11-18)15-19-14-20(27(29,30)31)8-9-22(19)23-12-17(13-25(33)34)7-10-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 2n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357307
PNG
(CHEMBL1916706)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-18-6-4-5-7-23(18)28)15-19-14-20(27(29,30)31)9-10-21(19)22-12-17(13-25(33)34)8-11-24(22)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 3n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357311
PNG
(CHEMBL1916711)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cc(F)cc(F)c1
Show InChI InChI=1S/C27H24F5NO5/c1-3-33(26(36)38-15-17-8-20(28)13-21(29)9-17)14-18-12-19(27(30,31)32)5-6-22(18)23-10-16(11-25(34)35)4-7-24(23)37-2/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357289
PNG
(CHEMBL1916708)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-17-4-8-21(28)9-5-17)15-19-14-20(27(29,30)31)7-10-22(19)23-12-18(13-25(33)34)6-11-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 3n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357309
PNG
(CHEMBL1916709)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H24Cl2F3NO5/c1-3-33(26(36)38-15-17-8-20(28)13-21(29)9-17)14-18-12-19(27(30,31)32)5-6-22(18)23-10-16(11-25(34)35)4-7-24(23)37-2/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,34,35)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357303
PNG
(CHEMBL1916701)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CC1)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H26F3NO5/c1-36-25-12-7-19(14-26(33)34)13-24(25)23-11-8-21(28(29,30)31)15-20(23)16-32(22-9-10-22)27(35)37-17-18-5-3-2-4-6-18/h2-8,11-13,15,22H,9-10,14,16-17H2,1H3,(H,33,34)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357310
PNG
(CHEMBL1916710)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(F)cc1
Show InChI InChI=1S/C27H25F4NO5/c1-3-32(26(35)37-16-17-4-8-21(28)9-5-17)15-19-14-20(27(29,30)31)7-10-22(19)23-12-18(13-25(33)34)6-11-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
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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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))
BDBM50357302
PNG
(CHEMBL1916699)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-30(25(33)35-16-17-6-4-3-5-7-17)15-19-14-20(26(27,28)29)9-10-21(19)22-12-18(13-24(31)32)8-11-23(22)34-2/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357286
PNG
(CHEMBL1916700)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H26F3NO5/c1-3-31(26(34)36-17-18-7-5-4-6-8-18)16-20-15-21(27(28,29)30)10-11-22(20)23-13-19(14-25(32)33)9-12-24(23)35-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,32,33)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357304
PNG
(CHEMBL1916702)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CCC1)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3NO5/c1-37-26-13-10-20(15-27(34)35)14-25(26)24-12-11-22(29(30,31)32)16-21(24)17-33(23-8-5-9-23)28(36)38-18-19-6-3-2-4-7-19/h2-4,6-7,10-14,16,23H,5,8-9,15,17-18H2,1H3,(H,34,35)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357311
PNG
(CHEMBL1916711)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cc(F)cc(F)c1
Show InChI InChI=1S/C27H24F5NO5/c1-3-33(26(36)38-15-17-8-20(28)13-21(29)9-17)14-18-12-19(27(30,31)32)5-6-22(18)23-10-16(11-25(34)35)4-7-24(23)37-2/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,34,35)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357286
PNG
(CHEMBL1916700)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H26F3NO5/c1-3-31(26(34)36-17-18-7-5-4-6-8-18)16-20-15-21(27(28,29)30)10-11-22(20)23-13-19(14-25(32)33)9-12-24(23)35-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,32,33)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
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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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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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))
BDBM50357289
PNG
(CHEMBL1916708)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-17-4-8-21(28)9-5-17)15-19-14-20(27(29,30)31)7-10-22(19)23-12-18(13-25(33)34)6-11-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
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))
BDBM50357307
PNG
(CHEMBL1916706)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-18-6-4-5-7-23(18)28)15-19-14-20(27(29,30)31)9-10-21(19)22-12-17(13-25(33)34)8-11-24(22)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357308
PNG
(CHEMBL1916707)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-18-5-4-6-21(28)11-18)15-19-14-20(27(29,30)31)8-9-22(19)23-12-17(13-25(33)34)7-10-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357289
PNG
(CHEMBL1916708)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-17-4-8-21(28)9-5-17)15-19-14-20(27(29,30)31)7-10-22(19)23-12-18(13-25(33)34)6-11-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357310
PNG
(CHEMBL1916710)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(F)cc1
Show InChI InChI=1S/C27H25F4NO5/c1-3-32(26(35)37-16-17-4-8-21(28)9-5-17)15-19-14-20(27(29,30)31)7-10-22(19)23-12-18(13-25(33)34)6-11-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357286
PNG
(CHEMBL1916700)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H26F3NO5/c1-3-31(26(34)36-17-18-7-5-4-6-8-18)16-20-15-21(27(28,29)30)10-11-22(20)23-13-19(14-25(32)33)9-12-24(23)35-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,32,33)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357291
PNG
(CHEMBL1916704)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C21H22F3NO5/c1-4-25(20(28)30-3)12-14-11-15(21(22,23)24)6-7-16(14)17-9-13(10-19(26)27)5-8-18(17)29-2/h5-9,11H,4,10,12H2,1-3H3,(H,26,27)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357291
PNG
(CHEMBL1916704)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C21H22F3NO5/c1-4-25(20(28)30-3)12-14-11-15(21(22,23)24)6-7-16(14)17-9-13(10-19(26)27)5-8-18(17)29-2/h5-9,11H,4,10,12H2,1-3H3,(H,26,27)
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n/an/a 9n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357302
PNG
(CHEMBL1916699)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-30(25(33)35-16-17-6-4-3-5-7-17)15-19-14-20(26(27,28)29)9-10-21(19)22-12-18(13-24(31)32)8-11-23(22)34-2/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357303
PNG
(CHEMBL1916701)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CC1)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H26F3NO5/c1-36-25-12-7-19(14-26(33)34)13-24(25)23-11-8-21(28(29,30)31)15-20(23)16-32(22-9-10-22)27(35)37-17-18-5-3-2-4-6-18/h2-8,11-13,15,22H,9-10,14,16-17H2,1H3,(H,33,34)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357308
PNG
(CHEMBL1916707)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-18-5-4-6-21(28)11-18)15-19-14-20(27(29,30)31)8-9-22(19)23-12-17(13-25(33)34)7-10-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357305
PNG
(CHEMBL1916703)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CCCC1)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H30F3NO5/c1-38-27-14-11-21(16-28(35)36)15-26(27)25-13-12-23(30(31,32)33)17-22(25)18-34(24-9-5-6-10-24)29(37)39-19-20-7-3-2-4-8-20/h2-4,7-8,11-15,17,24H,5-6,9-10,16,18-19H2,1H3,(H,35,36)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
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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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))
BDBM50357307
PNG
(CHEMBL1916706)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C27H25ClF3NO5/c1-3-32(26(35)37-16-18-6-4-5-7-23(18)28)15-19-14-20(27(29,30)31)9-10-21(19)22-12-17(13-25(33)34)8-11-24(22)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357311
PNG
(CHEMBL1916711)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cc(F)cc(F)c1
Show InChI InChI=1S/C27H24F5NO5/c1-3-33(26(36)38-15-17-8-20(28)13-21(29)9-17)14-18-12-19(27(30,31)32)5-6-22(18)23-10-16(11-25(34)35)4-7-24(23)37-2/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,34,35)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357309
PNG
(CHEMBL1916709)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H24Cl2F3NO5/c1-3-33(26(36)38-15-17-8-20(28)13-21(29)9-17)14-18-12-19(27(30,31)32)5-6-22(18)23-10-16(11-25(34)35)4-7-24(23)37-2/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,34,35)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357304
PNG
(CHEMBL1916702)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CCC1)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3NO5/c1-37-26-13-10-20(15-27(34)35)14-25(26)24-12-11-22(29(30,31)32)16-21(24)17-33(23-8-5-9-23)28(36)38-18-19-6-3-2-4-7-19/h2-4,6-7,10-14,16,23H,5,8-9,15,17-18H2,1H3,(H,34,35)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
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))
BDBM50357291
PNG
(CHEMBL1916704)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C21H22F3NO5/c1-4-25(20(28)30-3)12-14-11-15(21(22,23)24)6-7-16(14)17-9-13(10-19(26)27)5-8-18(17)29-2/h5-9,11H,4,10,12H2,1-3H3,(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
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))
BDBM50357303
PNG
(CHEMBL1916701)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CC1)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H26F3NO5/c1-36-25-12-7-19(14-26(33)34)13-24(25)23-11-8-21(28(29,30)31)15-20(23)16-32(22-9-10-22)27(35)37-17-18-5-3-2-4-6-18/h2-8,11-13,15,22H,9-10,14,16-17H2,1H3,(H,33,34)
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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 prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357302
PNG
(CHEMBL1916699)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-30(25(33)35-16-17-6-4-3-5-7-17)15-19-14-20(26(27,28)29)9-10-21(19)22-12-18(13-24(31)32)8-11-23(22)34-2/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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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 prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357304
PNG
(CHEMBL1916702)
Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CCC1)C(=O)OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3NO5/c1-37-26-13-10-20(15-27(34)35)14-25(26)24-12-11-22(29(30,31)32)16-21(24)17-33(23-8-5-9-23)28(36)38-18-19-6-3-2-4-7-19/h2-4,6-7,10-14,16,23H,5,8-9,15,17-18H2,1H3,(H,34,35)
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n/an/a 19n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM151585
PNG
(US11739089, Compound Ketoconazole | US8987315, Ket...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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US Patent
n/an/a 20n/an/an/an/a7.4n/a



NMMLSC

US Patent


Assay Description
Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...


US Patent US9688624 (2017)


BindingDB Entry DOI: 10.7270/Q2416V6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM151585
PNG
(US11739089, Compound Ketoconazole | US8987315, Ket...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 20n/an/an/an/a7.4n/a



NMMLSC

US Patent


Assay Description
Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...


US Patent US9688624 (2017)


BindingDB Entry DOI: 10.7270/Q2416V6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a 22n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357300
PNG
(CHEMBL1916696)
Show SMILES COC(=O)N(CCc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C27H26F3NO5/c1-35-24-11-8-19(15-25(32)33)14-23(24)22-10-9-21(27(28,29)30)16-20(22)17-31(26(34)36-2)13-12-18-6-4-3-5-7-18/h3-11,14,16H,12-13,15,17H2,1-2H3,(H,32,33)
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n/an/a 24n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357309
PNG
(CHEMBL1916709)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H24Cl2F3NO5/c1-3-33(26(36)38-15-17-8-20(28)13-21(29)9-17)14-18-12-19(27(30,31)32)5-6-22(18)23-10-16(11-25(34)35)4-7-24(23)37-2/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,34,35)
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n/an/a 29n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a 31n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50357300
PNG
(CHEMBL1916696)
Show SMILES COC(=O)N(CCc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C27H26F3NO5/c1-35-24-11-8-19(15-25(32)33)14-23(24)22-10-9-21(27(28,29)30)16-20(22)17-31(26(34)36-2)13-12-18-6-4-3-5-7-18/h3-11,14,16H,12-13,15,17H2,1-2H3,(H,32,33)
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n/an/a 34n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
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