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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'budelsky' and Initial = 'a'   
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))
BDBM50360680
PNG
(CHEMBL1933918)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)N[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O6/c1-4-25(30)29-20-11-13-22(35-24-14-18(15-26(31)32)10-12-23(24)34-3)21(16-20)27(33)28-17(2)19-8-6-5-7-9-19/h5-14,16-17H,4,15H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
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))
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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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))
BDBM50302824
PNG
(2-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(ethylca...)
Show SMILES CCNC(=O)c1ccc(Oc2c(OC)cc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H24Cl2N2O8S/c1-4-28-25(32)15-5-7-19(18(12-15)29-38(33,34)22-8-6-16(26)13-17(22)27)37-24-20(35-2)9-14(11-23(30)31)10-21(24)36-3/h5-10,12-13,29H,4,11H2,1-3H3,(H,28,32)(H,30,31)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50360682
PNG
(CHEMBL1933920)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)NC(C)(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H31FN2O6/c1-5-26(33)31-21-11-13-23(38-25-14-19(15-27(34)35)8-12-24(25)37-4)22(16-21)28(36)32-29(2,3)17-18-6-9-20(30)10-7-18/h6-14,16H,5,15,17H2,1-4H3,(H,31,33)(H,32,36)(H,34,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50360681
PNG
(CHEMBL1933919)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O6/c1-3-25(31)30-20-9-11-22(36-24-14-18(15-26(32)33)6-10-23(24)35-2)21(16-20)27(34)29-13-12-17-4-7-19(28)8-5-17/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50360679
PNG
(CHEMBL1933917)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H27ClN2O6/c1-4-25(31)30-20-10-12-22(36-24-13-17(14-26(32)33)5-11-23(24)35-3)21(15-20)27(34)29-16(2)18-6-8-19(28)9-7-18/h5-13,15-16H,4,14H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t16-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50018896
PNG
(CHEMBL3287089)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2NC(=O)Cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl2N2O7S/c1-33-19-8-12(9-22(29)30)2-5-17(19)34-18-6-4-16-14(11-21(28)26-16)23(18)27-35(31,32)20-7-3-13(24)10-15(20)25/h2-8,10,27H,9,11H2,1H3,(H,26,28)(H,29,30)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
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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Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
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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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))
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50360668
PNG
(CHEMBL1933763)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(cc2OC)C(F)(F)C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H24Cl2F2N2O7S/c1-3-4-11-31-24(33)15-5-8-20(19(12-15)32-40(36,37)23-10-7-17(27)14-18(23)28)39-21-9-6-16(13-22(21)38-2)26(29,30)25(34)35/h5-10,12-14,32H,3-4,11H2,1-2H3,(H,31,33)(H,34,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
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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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))
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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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))
BDBM50360671
PNG
(CHEMBL1933766)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(H,30,31)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
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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n/an/a 5n/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))
BDBM50360675
PNG
(CHEMBL1933913)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1CS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCC1
Show InChI InChI=1S/C27H25Cl2NO7S/c1-36-24-11-16(12-26(31)32)5-8-23(24)37-22-9-6-17(27(33)30-20-3-2-4-20)13-18(22)15-38(34,35)25-10-7-19(28)14-21(25)29/h5-11,13-14,20H,2-4,12,15H2,1H3,(H,30,33)(H,31,32)
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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 CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
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 2


(Homo sapiens (Human))
BDBM50360680
PNG
(CHEMBL1933918)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)N[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O6/c1-4-25(30)29-20-11-13-22(35-24-14-18(15-26(31)32)10-12-23(24)34-3)21(16-20)27(33)28-17(2)19-8-6-5-7-9-19/h5-14,16-17H,4,15H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t17-/m0/s1
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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 293 cells by scintillation counting in presence of 50 % human plasma


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50360670
PNG
(CHEMBL1933765)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)NS(C)(=O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H29Cl2N3O8S2/c1-4-5-12-30-27(34)18-7-10-22(21(15-18)31-42(37,38)25-11-8-19(28)16-20(25)29)40-23-9-6-17(13-24(23)39-2)14-26(33)32-41(3,35)36/h6-11,13,15-16,31H,4-5,12,14H2,1-3H3,(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 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
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))
BDBM50360677
PNG
(CHEMBL1933915)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H25ClN2O6/c1-3-24(30)29-19-9-11-21(35-23-12-17(13-25(31)32)6-10-22(23)34-2)20(14-19)26(33)28-15-16-4-7-18(27)8-5-16/h4-12,14H,3,13,15H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50360669
PNG
(CHEMBL1933764)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(Cc3nnn[nH]3)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N6O5S/c1-3-4-11-29-26(35)17-6-9-21(20(14-17)32-40(36,37)24-10-7-18(27)15-19(24)28)39-22-8-5-16(12-23(22)38-2)13-25-30-33-34-31-25/h5-10,12,14-15,32H,3-4,11,13H2,1-2H3,(H,29,35)(H,30,31,33,34)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50018898
PNG
(CHEMBL3287082)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl)C1CC1
Show InChI InChI=1S/C26H22Cl2N2O6S/c1-35-23-10-14(11-25(31)32)2-7-21(23)36-22-8-6-19-17(13-20(29-19)15-3-4-15)26(22)30-37(33,34)24-9-5-16(27)12-18(24)28/h2,5-10,12-13,15,29-30H,3-4,11H2,1H3,(H,31,32)
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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 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
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))
BDBM50018897
PNG
(CHEMBL3287081)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2n(C)ccc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H20Cl2N2O6S/c1-28-10-9-16-18(28)5-7-20(34-19-6-3-14(12-23(29)30)11-21(19)33-2)24(16)27-35(31,32)22-8-4-15(25)13-17(22)26/h3-11,13,27H,12H2,1-2H3,(H,29,30)
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n/an/a 9n/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 in buffer solution with 0.5% bovine serum albumin by scintillation countin...


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
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))
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 12n/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 in buffer solution with 0.5% bovine serum albumin by scintillation countin...


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50360667
PNG
(CHEMBL1933762)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(cc2OC)C2(CCCC2)C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C30H32Cl2N2O7S/c1-3-4-15-33-28(35)19-7-10-24(23(16-19)34-42(38,39)27-12-9-21(31)18-22(27)32)41-25-11-8-20(17-26(25)40-2)30(29(36)37)13-5-6-14-30/h7-12,16-18,34H,3-6,13-15H2,1-2H3,(H,33,35)(H,36,37)
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50360681
PNG
(CHEMBL1933919)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O6/c1-3-25(31)30-20-9-11-22(36-24-14-18(15-26(32)33)6-10-23(24)35-2)21(16-20)27(34)29-13-12-17-4-7-19(28)8-5-17/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by scintillation counting in presence of 50 % human plasma


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50360671
PNG
(CHEMBL1933766)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50360678
PNG
(CHEMBL1933916)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H27ClN2O6/c1-4-25(31)30-20-10-12-22(36-24-13-17(14-26(32)33)5-11-23(24)35-3)21(15-20)27(34)29-16(2)18-6-8-19(28)9-7-18/h5-13,15-16H,4,14H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t16-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50360682
PNG
(CHEMBL1933920)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)NC(C)(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H31FN2O6/c1-5-26(33)31-21-11-13-23(38-25-14-19(15-27(34)35)8-12-24(25)37-4)22(16-21)28(36)32-29(2,3)17-18-6-9-20(30)10-7-18/h6-14,16H,5,15,17H2,1-4H3,(H,31,33)(H,32,36)(H,34,35)
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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 CRTh2 receptor expressed in 293 cells by scintillation counting in presence of 50 % human plasma


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50360679
PNG
(CHEMBL1933917)
Show SMILES CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H27ClN2O6/c1-4-25(31)30-20-10-12-22(36-24-13-17(14-26(32)33)5-11-23(24)35-3)21(15-20)27(34)29-16(2)18-6-8-19(28)9-7-18/h5-13,15-16H,4,14H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t16-/m0/s1
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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 CRTh2 receptor expressed in 293 cells by scintillation counting in presence of 50 % human plasma


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
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))
BDBM50302817
PNG
(2-(3-(2-(2,4-dichlorophenylsulfonamido)-4-(ethylca...)
Show SMILES CCNC(=O)c1ccc(Oc2cccc(CC(O)=O)c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C23H20Cl2N2O6S/c1-2-26-23(30)15-6-8-20(33-17-5-3-4-14(10-17)11-22(28)29)19(12-15)27-34(31,32)21-9-7-16(24)13-18(21)25/h3-10,12-13,27H,2,11H2,1H3,(H,26,30)(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50302824
PNG
(2-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(ethylca...)
Show SMILES CCNC(=O)c1ccc(Oc2c(OC)cc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H24Cl2N2O8S/c1-4-28-25(32)15-5-7-19(18(12-15)29-38(33,34)22-8-6-16(26)13-17(22)27)37-24-20(35-2)9-14(11-23(30)31)10-21(24)36-3/h5-10,12-13,29H,4,11H2,1-3H3,(H,28,32)(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by scintillation counting in presence of 50 % human plasma


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50018896
PNG
(CHEMBL3287089)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2NC(=O)Cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl2N2O7S/c1-33-19-8-12(9-22(29)30)2-5-17(19)34-18-6-4-16-14(11-21(28)26-16)23(18)27-35(31,32)20-7-3-13(24)10-15(20)25/h2-8,10,27H,9,11H2,1H3,(H,26,28)(H,29,30)
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n/an/a 17n/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 in buffer solution with 0.5% bovine serum albumin by scintillation countin...


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50018897
PNG
(CHEMBL3287081)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2n(C)ccc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H20Cl2N2O6S/c1-28-10-9-16-18(28)5-7-20(34-19-6-3-14(12-23(29)30)11-21(19)33-2)24(16)27-35(31,32)22-8-4-15(25)13-17(22)26/h3-11,13,27H,12H2,1-2H3,(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
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 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 293 cells by scintillation counting in presence of 50 % human plasma


Bioorg Med Chem Lett 22: 367-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.123
BindingDB Entry DOI: 10.7270/Q2057GB8
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50018894
PNG
(CHEMBL3287086)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2n(C)c(C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H22Cl2N2O6S/c1-14-10-17-19(29(14)2)6-8-21(35-20-7-4-15(12-24(30)31)11-22(20)34-3)25(17)28-36(32,33)23-9-5-16(26)13-18(23)27/h4-11,13,28H,12H2,1-3H3,(H,30,31)
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n/an/a 22n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
More data for this
Ligand-Target Pair
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