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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50034577   
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))
BDBM50364525
PNG
(CHEMBL1950868)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3n(CC(O)=O)ccc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-2-3-11-30-27(35)18-4-8-24(22(14-18)31-39(36,37)25-9-5-19(28)15-21(25)29)38-20-6-7-23-17(13-20)10-12-32(23)16-26(33)34/h4-10,12-15,31H,2-3,11,16H2,1H3,(H,30,35)(H,33,34)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364535
PNG
(CHEMBL1950878)
Show SMILES CCCc1nc(c[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-26-30-15-21(31-26)17-6-9-22(38-23-8-5-16(12-27(33)34)11-24(23)37-2)20(13-17)32-39(35,36)25-10-7-18(28)14-19(25)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364528
PNG
(CHEMBL1950871)
Show SMILES CCCCNC(=O)c1ccc(Cc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H28Cl2N2O6S/c1-3-4-11-30-27(34)20-8-7-18(14-19-6-5-17(13-26(32)33)12-24(19)37-2)23(15-20)31-38(35,36)25-10-9-21(28)16-22(25)29/h5-10,12,15-16,31H,3-4,11,13-14H2,1-2H3,(H,30,34)(H,32,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364536
PNG
(CHEMBL1950879)
Show SMILES CCCc1cc(n[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-19-15-21(31-30-19)17-6-9-23(38-24-8-5-16(12-27(33)34)11-25(24)37-2)22(13-17)32-39(35,36)26-10-7-18(28)14-20(26)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364524
PNG
(CHEMBL1950867)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3c(CC(O)=O)c[nH]c3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-2-3-10-30-27(35)16-4-8-24(23(11-16)32-39(36,37)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(33)34)15-31-22(20)14-19/h4-9,11,13-15,31-32H,2-3,10,12H2,1H3,(H,30,35)(H,33,34)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364534
PNG
(CHEMBL1950877)
Show SMILES CCCc1nnc([nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H24Cl2N4O6S/c1-3-4-24-29-26(31-30-24)16-6-9-20(38-21-8-5-15(12-25(33)34)11-22(21)37-2)19(13-16)32-39(35,36)23-10-7-17(27)14-18(23)28/h5-11,13-14,32H,3-4,12H2,1-2H3,(H,33,34)(H,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364536
PNG
(CHEMBL1950879)
Show SMILES CCCc1cc(n[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-19-15-21(31-30-19)17-6-9-23(38-24-8-5-16(12-27(33)34)11-25(24)37-2)22(13-17)32-39(35,36)26-10-7-18(28)14-20(26)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364527
PNG
(CHEMBL1950870)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3c(CC(O)=O)coc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H24Cl2N2O7S/c1-2-3-10-30-27(34)16-4-8-23(22(11-16)31-39(35,36)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(32)33)15-37-24(20)14-19/h4-9,11,13-15,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364527
PNG
(CHEMBL1950870)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3c(CC(O)=O)coc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H24Cl2N2O7S/c1-2-3-10-30-27(34)16-4-8-23(22(11-16)31-39(35,36)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(32)33)15-37-24(20)14-19/h4-9,11,13-15,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364532
PNG
(CHEMBL1950875)
Show SMILES CCc1nnc([nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O6S/c1-3-23-28-25(30-29-23)15-5-8-19(37-20-7-4-14(11-24(32)33)10-21(20)36-2)18(12-15)31-38(34,35)22-9-6-16(26)13-17(22)27/h4-10,12-13,31H,3,11H2,1-2H3,(H,32,33)(H,28,29,30)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364528
PNG
(CHEMBL1950871)
Show SMILES CCCCNC(=O)c1ccc(Cc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H28Cl2N2O6S/c1-3-4-11-30-27(34)20-8-7-18(14-19-6-5-17(13-26(32)33)12-24(19)37-2)23(15-20)31-38(35,36)25-10-9-21(28)16-22(25)29/h5-10,12,15-16,31H,3-4,11,13-14H2,1-2H3,(H,30,34)(H,32,33)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364536
PNG
(CHEMBL1950879)
Show SMILES CCCc1cc(n[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-19-15-21(31-30-19)17-6-9-23(38-24-8-5-16(12-27(33)34)11-25(24)37-2)22(13-17)32-39(35,36)26-10-7-18(28)14-20(26)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 50% plasma


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364535
PNG
(CHEMBL1950878)
Show SMILES CCCc1nc(c[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-26-30-15-21(31-26)17-6-9-22(38-23-8-5-16(12-27(33)34)11-24(23)37-2)20(13-17)32-39(35,36)25-10-7-18(28)14-19(25)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364523
PNG
(CHEMBL1950866)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)nc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H23Cl2N3O6S/c1-2-3-10-27-24(32)15-4-8-21(35-18-7-6-17(28-14-18)13-23(30)31)20(11-15)29-36(33,34)22-9-5-16(25)12-19(22)26/h4-9,11-12,14,29H,2-3,10,13H2,1H3,(H,27,32)(H,30,31)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364534
PNG
(CHEMBL1950877)
Show SMILES CCCc1nnc([nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H24Cl2N4O6S/c1-3-4-24-29-26(31-30-24)16-6-9-20(38-21-8-5-15(12-25(33)34)11-22(21)37-2)19(13-16)32-39(35,36)23-10-7-17(27)14-18(23)28/h5-11,13-14,32H,3-4,12H2,1-2H3,(H,33,34)(H,29,30,31)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364532
PNG
(CHEMBL1950875)
Show SMILES CCc1nnc([nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O6S/c1-3-23-28-25(30-29-23)15-5-8-19(37-20-7-4-14(11-24(32)33)10-21(20)36-2)18(12-15)31-38(34,35)22-9-6-16(26)13-17(22)27/h4-10,12-13,31H,3,11H2,1-2H3,(H,32,33)(H,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364535
PNG
(CHEMBL1950878)
Show SMILES CCCc1nc(c[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-26-30-15-21(31-26)17-6-9-22(38-23-8-5-16(12-27(33)34)11-24(23)37-2)20(13-17)32-39(35,36)25-10-7-18(28)14-19(25)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 50% plasma


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 21n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 50% plasma


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364529
PNG
(CHEMBL1950872)
Show SMILES CCCCNC(=O)c1ccc(Sc2ccc(CC(O)=O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H24Cl2N2O5S2/c1-2-3-12-28-25(32)17-6-10-22(35-19-8-4-16(5-9-19)13-24(30)31)21(14-17)29-36(33,34)23-11-7-18(26)15-20(23)27/h4-11,14-15,29H,2-3,12-13H2,1H3,(H,28,32)(H,30,31)
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n/an/a 21n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364533
PNG
(CHEMBL1950876)
Show SMILES CCc1noc(n1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H21Cl2N3O7S/c1-3-23-28-25(37-29-23)15-5-8-19(36-20-7-4-14(11-24(31)32)10-21(20)35-2)18(12-15)30-38(33,34)22-9-6-16(26)13-17(22)27/h4-10,12-13,30H,3,11H2,1-2H3,(H,31,32)
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364525
PNG
(CHEMBL1950868)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3n(CC(O)=O)ccc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-2-3-11-30-27(35)18-4-8-24(22(14-18)31-39(36,37)25-9-5-19(28)15-21(25)29)38-20-6-7-23-17(13-20)10-12-32(23)16-26(33)34/h4-10,12-15,31H,2-3,11,16H2,1H3,(H,30,35)(H,33,34)
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n/an/a 29n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364536
PNG
(CHEMBL1950879)
Show SMILES CCCc1cc(n[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-19-15-21(31-30-19)17-6-9-23(38-24-8-5-16(12-27(33)34)11-25(24)37-2)22(13-17)32-39(35,36)26-10-7-18(28)14-20(26)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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n/an/a 46n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364524
PNG
(CHEMBL1950867)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3c(CC(O)=O)c[nH]c3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-2-3-10-30-27(35)16-4-8-24(23(11-16)32-39(36,37)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(33)34)15-31-22(20)14-19/h4-9,11,13-15,31-32H,2-3,10,12H2,1H3,(H,30,35)(H,33,34)
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n/an/a 83n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364535
PNG
(CHEMBL1950878)
Show SMILES CCCc1nc(c[nH]1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O6S/c1-3-4-26-30-15-21(31-26)17-6-9-22(38-23-8-5-16(12-27(33)34)11-24(23)37-2)20(13-17)32-39(35,36)25-10-7-18(28)14-19(25)29/h5-11,13-15,32H,3-4,12H2,1-2H3,(H,30,31)(H,33,34)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364526
PNG
(CHEMBL1950869)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3C(CC(O)=O)COc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H26Cl2N2O7S/c1-2-3-10-30-27(34)16-4-8-23(22(11-16)31-39(35,36)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(32)33)15-37-24(20)14-19/h4-9,11,13-14,17,31H,2-3,10,12,15H2,1H3,(H,30,34)(H,32,33)
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n/an/a 150n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364523
PNG
(CHEMBL1950866)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)nc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H23Cl2N3O6S/c1-2-3-10-27-24(32)15-4-8-21(35-18-7-6-17(28-14-18)13-23(30)31)20(11-15)29-36(33,34)22-9-5-16(25)12-19(22)26/h4-9,11-12,14,29H,2-3,10,13H2,1H3,(H,27,32)(H,30,31)
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n/an/a 230n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 280n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364522
PNG
(CHEMBL1950865)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cn2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H23Cl2N3O6S/c1-2-3-10-27-24(32)16-5-7-20(35-22-9-4-15(14-28-22)11-23(30)31)19(12-16)29-36(33,34)21-8-6-17(25)13-18(21)26/h4-9,12-14,29H,2-3,10-11H2,1H3,(H,27,32)(H,30,31)
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n/an/a 310n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364531
PNG
(CHEMBL1950874)
Show SMILES CCCCNC(=O)c1ccc(c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C25H24Cl2N2O7S2/c1-2-3-12-28-25(32)17-6-10-23(37(33,34)19-8-4-16(5-9-19)13-24(30)31)21(14-17)29-38(35,36)22-11-7-18(26)15-20(22)27/h4-11,14-15,29H,2-3,12-13H2,1H3,(H,28,32)(H,30,31)
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364522
PNG
(CHEMBL1950865)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cn2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H23Cl2N3O6S/c1-2-3-10-27-24(32)16-5-7-20(35-22-9-4-15(14-28-22)11-23(30)31)19(12-16)29-36(33,34)21-8-6-17(25)13-18(21)26/h4-9,12-14,29H,2-3,10-11H2,1H3,(H,27,32)(H,30,31)
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n/an/a 480n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364526
PNG
(CHEMBL1950869)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc3C(CC(O)=O)COc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H26Cl2N2O7S/c1-2-3-10-30-27(34)16-4-8-23(22(11-16)31-39(35,36)25-9-5-18(28)13-21(25)29)38-19-6-7-20-17(12-26(32)33)15-37-24(20)14-19/h4-9,11,13-14,17,31H,2-3,10,12,15H2,1H3,(H,30,34)(H,32,33)
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n/an/a 580n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364529
PNG
(CHEMBL1950872)
Show SMILES CCCCNC(=O)c1ccc(Sc2ccc(CC(O)=O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H24Cl2N2O5S2/c1-2-3-12-28-25(32)17-6-10-22(35-19-8-4-16(5-9-19)13-24(30)31)21(14-17)29-36(33,34)23-11-7-18(26)15-20(23)27/h4-11,14-15,29H,2-3,12-13H2,1H3,(H,28,32)(H,30,31)
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n/an/a 630n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364530
PNG
(CHEMBL1950873)
Show SMILES CCCCNC(=O)c1ccc(c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1)S(=O)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C25H24Cl2N2O6S2/c1-2-3-12-28-25(32)17-6-10-22(36(33)19-8-4-16(5-9-19)13-24(30)31)21(14-17)29-37(34,35)23-11-7-18(26)15-20(23)27/h4-11,14-15,29H,2-3,12-13H2,1H3,(H,28,32)(H,30,31)
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n/an/a 660n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50364533
PNG
(CHEMBL1950876)
Show SMILES CCc1noc(n1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H21Cl2N3O7S/c1-3-23-28-25(37-29-23)15-5-8-19(36-20-7-4-14(11-24(31)32)10-21(20)35-2)18(12-15)30-38(33,34)22-9-6-16(26)13-17(22)27/h4-10,12-13,30H,3,11H2,1-2H3,(H,31,32)
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n/an/a 770n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364530
PNG
(CHEMBL1950873)
Show SMILES CCCCNC(=O)c1ccc(c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1)S(=O)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C25H24Cl2N2O6S2/c1-2-3-12-28-25(32)17-6-10-22(36(33)19-8-4-16(5-9-19)13-24(30)31)21(14-17)29-37(34,35)23-11-7-18(26)15-20(23)27/h4-11,14-15,29H,2-3,12-13H2,1H3,(H,28,32)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50364531
PNG
(CHEMBL1950874)
Show SMILES CCCCNC(=O)c1ccc(c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C25H24Cl2N2O7S2/c1-2-3-12-28-25(32)17-6-10-23(37(33,34)19-8-4-16(5-9-19)13-24(30)31)21(14-17)29-38(35,36)22-11-7-18(26)15-20(22)27/h4-11,14-15,29H,2-3,12-13H2,1H3,(H,28,32)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 22: 1686-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.107
BindingDB Entry DOI: 10.7270/Q2B858MR
More data for this
Ligand-Target Pair