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Compile Data Set for Download or QSAR

Found 375 hits with Last Name = 'grimstrup' and Initial = 'm'   
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))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 0.0120n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312907
PNG
(2-(4-(4-chlorophenyl)-2-(diphenylamino)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-13-11-16(12-14-17)22-20(15-21(27)28)29-23(25-22)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0720n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312909
PNG
(2-(2-(diphenylamino)-4-(3-fluorophenyl)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1cccc(F)c1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O2S/c24-17-9-7-8-16(14-17)22-20(15-21(27)28)29-23(25-22)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0790n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312915
PNG
(2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol...)
Show SMILES CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20FNO2S/c1-25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)24-27-23(21(30-24)16-22(28)29)17-12-14-20(26)15-13-17/h2-15H,16H2,1H3,(H,28,29)
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n/an/a 0.0850n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312908
PNG
(2-(2-(diphenylamino)-4-(4-fluorophenyl)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O2S/c24-17-13-11-16(12-14-17)22-20(15-21(27)28)29-23(25-22)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)
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n/an/a 0.0980n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312917
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)COc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16F3NO3S/c25-17-8-4-14(5-9-17)21(15-6-10-18(26)11-7-15)23-28-22(16-2-1-3-19(27)12-16)24(32-23)31-13-20(29)30/h1-12,21H,13H2,(H,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312910
PNG
(2-(2-(bis(4-fluorophenyl)amino)-4-(4-fluorophenyl)...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O2S/c24-15-3-1-14(2-4-15)22-20(13-21(29)30)31-23(27-22)28(18-9-5-16(25)6-10-18)19-11-7-17(26)8-12-19/h1-12H,13H2,(H,29,30)
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n/an/a 0.240n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312911
PNG
(2-(2-(bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl...)
Show SMILES COc1ccc(cc1)N(c1nc(c(CC(O)=O)s1)-c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H21FN2O4S/c1-31-20-10-6-18(7-11-20)28(19-8-12-21(32-2)13-9-19)25-27-24(22(33-25)15-23(29)30)16-4-3-5-17(26)14-16/h3-14H,15H2,1-2H3,(H,29,30)
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n/an/a 0.260n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312913
PNG
(2-(2-((4-cyanophenyl)(phenyl)amino)-4-(4-fluorophe...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H16FN3O2S/c25-18-10-8-17(9-11-18)23-21(14-22(29)30)31-24(27-23)28(19-4-2-1-3-5-19)20-12-6-16(15-26)7-13-20/h1-13H,14H2,(H,29,30)
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n/an/a 0.460n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309317
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(2-fluoropyridi...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccnc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O2S/c24-16-5-1-13(2-6-16)21(14-3-7-17(25)8-4-14)23-28-22(18(31-23)12-20(29)30)15-9-10-27-19(26)11-15/h1-11,21H,12H2,(H,29,30)
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n/an/a 0.480n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312916
PNG
(3-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)CCc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H18F3NO2S/c26-18-8-4-15(5-9-18)23(16-6-10-19(27)11-7-16)25-29-24(17-2-1-3-20(28)14-17)21(32-25)12-13-22(30)31/h1-11,14,23H,12-13H2,(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309297
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16F3NO2S/c25-17-8-4-14(5-9-17)22(15-6-10-18(26)11-7-15)24-28-23(20(31-24)13-21(29)30)16-2-1-3-19(27)12-16/h1-12,22H,13H2,(H,29,30)
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n/an/a 1.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200260
PNG
(4-bromo-2-[1-(4-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-1-4-14(5-2-12)22-9-11(8-21-22)18(25)15-7-13(20)3-6-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312914
PNG
(2-(4-(4-fluorophenyl)-2-(phenyl(pyridin-3-yl)amino...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)N(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H16FN3O2S/c23-16-10-8-15(9-11-16)21-19(13-20(27)28)29-22(25-21)26(17-5-2-1-3-6-17)18-7-4-12-24-14-18/h1-12,14H,13H2,(H,27,28)
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n/an/a 1.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200271
PNG
(4-bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 1.5n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200266
PNG
(4-bromo-2-[1-(4-chlorophenyl)-1H-pyrazole-4-carbon...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12BrClN2O4/c19-12-1-6-16(26-10-17(23)24)15(7-12)18(25)11-8-21-22(9-11)14-4-2-13(20)3-5-14/h1-9H,10H2,(H,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200265
PNG
(4-bromo-2-[1-(2-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1Br
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-5-6-16(26-10-17(23)24)13(7-12)18(25)11-8-21-22(9-11)15-4-2-1-3-14(15)20/h1-9H,10H2,(H,23,24)
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n/an/a 1.90n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 1.90n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312912
PNG
(2-(4-(4-fluorophenyl)-2-((4-(methylsulfonyl)phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C24H19FN2O4S2/c1-33(30,31)20-13-11-19(12-14-20)27(18-5-3-2-4-6-18)24-26-23(21(32-24)15-22(28)29)16-7-9-17(25)10-8-16/h2-14H,15H2,1H3,(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309285
PNG
(2-(2-benzhydryl-4-(3-fluorophenyl)thiazol-5-yl)ace...)
Show SMILES OC(=O)Cc1sc(nc1-c1cccc(F)c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18FNO2S/c25-19-13-7-12-18(14-19)23-20(15-21(27)28)29-24(26-23)22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,22H,15H2,(H,27,28)
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n/an/a 2.90n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309318
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(2-chloropyridi...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccnc(Cl)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15ClF2N2O2S/c24-19-11-15(9-10-27-19)22-18(12-20(29)30)31-23(28-22)21(13-1-5-16(25)6-2-13)14-3-7-17(26)8-4-14/h1-11,21H,12H2,(H,29,30)
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n/an/a 3.10n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309320
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(2-methylpyridi...)
Show SMILES Cc1cc(ccn1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H18F2N2O2S/c1-14-12-17(10-11-27-14)23-20(13-21(29)30)31-24(28-23)22(15-2-6-18(25)7-3-15)16-4-8-19(26)9-5-16/h2-12,22H,13H2,1H3,(H,29,30)
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n/an/a 3.10n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Mus musculus (mouse))
BDBM50200271
PNG
(4-bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
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n/an/a 3.20n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Inhibition of mouse CRTH2 receptor


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Mus musculus (mouse))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 3.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of mouse CRTH2 receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200262
PNG
(4-bromo-2-[1-(3-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1cccc(Br)c1
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-2-1-3-14(6-12)22-9-11(8-21-22)18(25)15-7-13(20)4-5-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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n/an/a 3.40n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309294
PNG
(2-(4-(4-fluorophenyl)-2-((4-hydroxyphenyl)(phenyl)...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)C(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H18FNO3S/c25-18-10-6-17(7-11-18)23-20(14-21(28)29)30-24(26-23)22(15-4-2-1-3-5-15)16-8-12-19(27)13-9-16/h1-13,22,27H,14H2,(H,28,29)
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n/an/a 3.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309298
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3,4-difluoroph...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)c(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H15F4NO2S/c25-16-6-1-13(2-7-16)22(14-3-8-17(26)9-4-14)24-29-23(20(32-24)12-21(30)31)15-5-10-18(27)19(28)11-15/h1-11,22H,12H2,(H,30,31)
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n/an/a 3.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309293
PNG
(2-(4-(4-fluorophenyl)-2-((4-methoxyphenyl)(phenyl)...)
Show SMILES COc1ccc(cc1)C(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C25H20FNO3S/c1-30-20-13-9-17(10-14-20)23(16-5-3-2-4-6-16)25-27-24(21(31-25)15-22(28)29)18-7-11-19(26)12-8-18/h2-14,23H,15H2,1H3,(H,28,29)
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n/an/a 3.60n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200247
PNG
(4-bromo-2-[1-(4-methoxyphenyl)-1H-pyrazole-4-carbo...)
Show SMILES COc1ccc(cc1)-n1cc(cn1)C(=O)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15BrN2O5/c1-26-15-5-3-14(4-6-15)22-10-12(9-21-22)19(25)16-8-13(20)2-7-17(16)27-11-18(23)24/h2-10H,11H2,1H3,(H,23,24)
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n/an/a 3.60n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309399
PNG
(2-(2-(4-chlorobenzyl)-4-(4-phenoxyphenyl)thiazol-5...)
Show SMILES OC(=O)Cc1sc(Cc2ccc(Cl)cc2)nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H18ClNO3S/c25-18-10-6-16(7-11-18)14-22-26-24(21(30-22)15-23(27)28)17-8-12-20(13-9-17)29-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,27,28)
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n/an/a 3.70n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309399
PNG
(2-(2-(4-chlorobenzyl)-4-(4-phenoxyphenyl)thiazol-5...)
Show SMILES OC(=O)Cc1sc(Cc2ccc(Cl)cc2)nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H18ClNO3S/c25-18-10-6-16(7-11-18)14-22-26-24(21(30-22)15-23(27)28)17-8-12-20(13-9-17)29-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,27,28)
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n/an/a 3.70n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 20: 1177-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.008
BindingDB Entry DOI: 10.7270/Q25T3KMP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309295
PNG
(2-(2-(bis(4-methoxyphenyl)methyl)-4-(4-fluoropheny...)
Show SMILES COc1ccc(cc1)C(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C26H22FNO4S/c1-31-20-11-5-16(6-12-20)24(17-7-13-21(32-2)14-8-17)26-28-25(22(33-26)15-23(29)30)18-3-9-19(27)10-4-18/h3-14,24H,15H2,1-2H3,(H,29,30)
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n/an/a 3.90n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309287
PNG
(2-(2-benzhydryl-4-(3,4-difluorophenyl)thiazol-5-yl...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)c(F)c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H17F2NO2S/c25-18-12-11-17(13-19(18)26)23-20(14-21(28)29)30-24(27-23)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22H,14H2,(H,28,29)
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n/an/a 4.10n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312909
PNG
(2-(2-(diphenylamino)-4-(3-fluorophenyl)thiazol-5-y...)
Show SMILES OC(=O)Cc1sc(nc1-c1cccc(F)c1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O2S/c24-17-9-7-8-16(14-17)22-20(15-21(27)28)29-23(25-22)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14H,15H2,(H,27,28)
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n/an/a 4.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309317
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(2-fluoropyridi...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccnc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O2S/c24-16-5-1-13(2-6-16)21(14-3-7-17(25)8-4-14)23-28-22(18(31-23)12-20(29)30)15-9-10-27-19(26)11-15/h1-11,21H,12H2,(H,29,30)
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n/an/a 4.70n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed as inhibition of beta arrestin translocation by bioluminescence reso...


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309323
PNG
(2-(4-(2-aminopyridin-4-yl)-2-(bis(4-fluorophenyl)m...)
Show SMILES Nc1cc(ccn1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H17F2N3O2S/c24-16-5-1-13(2-6-16)21(14-3-7-17(25)8-4-14)23-28-22(18(31-23)12-20(29)30)15-9-10-27-19(26)11-15/h1-11,21H,12H2,(H2,26,27)(H,29,30)
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n/an/a 4.80n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309316
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(pyridin-4-yl)t...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccncc1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H16F2N2O2S/c24-17-5-1-14(2-6-17)21(15-3-7-18(25)8-4-15)23-27-22(16-9-11-26-12-10-16)19(30-23)13-20(28)29/h1-12,21H,13H2,(H,28,29)
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n/an/a 5.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309319
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(2,6-difluoropy...)
Show SMILES OC(=O)Cc1sc(nc1-c1cc(F)nc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H14F4N2O2S/c24-15-5-1-12(2-6-15)21(13-3-7-16(25)8-4-13)23-29-22(17(32-23)11-20(30)31)14-9-18(26)28-19(27)10-14/h1-10,21H,11H2,(H,30,31)
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n/an/a 5.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Rattus norvegicus)
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 7.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of rat CRTH2 receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309296
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(4-fluorophenyl...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16F3NO2S/c25-17-7-1-14(2-8-17)22(15-3-9-18(26)10-4-15)24-28-23(20(31-24)13-21(29)30)16-5-11-19(27)12-6-16/h1-12,22H,13H2,(H,29,30)
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n/an/a 7.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50312915
PNG
(2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol...)
Show SMILES CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20FNO2S/c1-25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)24-27-23(21(30-24)16-22(28)29)17-12-14-20(26)15-13-17/h2-15H,16H2,1H3,(H,28,29)
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n/an/a 7.90n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309278
PNG
(2-(4-(4-chlorophenyl)-2-((4-methoxyphenyl)(phenyl)...)
Show SMILES COc1ccc(cc1)C(c1nc(c(CC(O)=O)s1)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C25H20ClNO3S/c1-30-20-13-9-17(10-14-20)23(16-5-3-2-4-6-16)25-27-24(21(31-25)15-22(28)29)18-7-11-19(26)12-8-18/h2-14,23H,15H2,1H3,(H,28,29)
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n/an/a 8.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309284
PNG
(2-(2-benzhydryl-4-(4-fluorophenyl)thiazol-5-yl)ace...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18FNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28)
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n/an/a 8.70n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309277
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(4-chlorophenyl...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H16ClF2NO2S/c25-17-7-1-16(2-8-17)23-20(13-21(29)30)31-24(28-23)22(14-3-9-18(26)10-4-14)15-5-11-19(27)12-6-15/h1-12,22H,13H2,(H,29,30)
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n/an/a 9.70n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309292
PNG
(2-(2-((3,4-difluorophenyl)(phenyl)methyl)-4-(4-flu...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)C(c1ccccc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H16F3NO2S/c25-17-9-6-15(7-10-17)23-20(13-21(29)30)31-24(28-23)22(14-4-2-1-3-5-14)16-8-11-18(26)19(27)12-16/h1-12,22H,13H2,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200265
PNG
(4-bromo-2-[1-(2-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccccc1Br
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-5-6-16(26-10-17(23)24)13(7-12)18(25)11-8-21-22(9-11)15-4-2-1-3-14(15)20/h1-9H,10H2,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200267
PNG
(CHEMBL214668 | [3',5'-difluoro-3-(1-phenyl-1H-pyra...)
Show SMILES OC(=O)COc1ccc(cc1C(=O)c1cnn(c1)-c1ccccc1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C24H16F2N2O4/c25-18-8-16(9-19(26)11-18)15-6-7-22(32-14-23(29)30)21(10-15)24(31)17-12-27-28(13-17)20-4-2-1-3-5-20/h1-13H,14H2,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200260
PNG
(4-bromo-2-[1-(4-bromophenyl)-1H-pyrazole-4-carbony...)
Show SMILES OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H12Br2N2O4/c19-12-1-4-14(5-2-12)22-9-11(8-21-22)18(25)15-7-13(20)3-6-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309291
PNG
(2-(2-((4-chlorophenyl)(phenyl)methyl)-4-(4-fluorop...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(F)cc1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H17ClFNO2S/c25-18-10-6-16(7-11-18)22(15-4-2-1-3-5-15)24-27-23(20(30-24)14-21(28)29)17-8-12-19(26)13-9-17/h1-13,22H,14H2,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309273
PNG
(2-(2-benzhydryl-4-(4-chlorophenyl)thiazol-5-yl)ace...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18ClNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28)
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n/an/a 14n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
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