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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50030480   
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


(Mus musculus (mouse))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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28n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from mouse CRTh2 receptor expressed in K562 cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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31n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296849
PNG
(2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N
Show InChI InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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35n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296850
PNG
(2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H12FN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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36n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296847
PNG
(2-(1-(4-cyano-3-ethoxyphenylsulfonyl)-2-methyl-1H-...)
Show SMILES CCOc1cc(ccc1C#N)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C19H17N3O5S/c1-3-27-17-9-14(7-6-13(17)11-20)28(25,26)22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10H2,1-2H3,(H,23,24)
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43n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296859
PNG
(2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O6S/c1-10-14(9-15(20)21)13-3-2-8-17-16(13)18(10)26(24,25)12-6-4-11(5-7-12)19(22)23/h2-8H,9H2,1H3,(H,20,21)
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48n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296857
PNG
(2-(1-(3,4-dichlorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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52n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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56n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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59n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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73n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296851
PNG
(2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
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103n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296845
PNG
(2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22)
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158n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296854
PNG
(2-(2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]py...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-11-14(10-15(19)20)13-8-5-9-17-16(13)18(11)23(21,22)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,20)
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282n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296852
PNG
(2-(1-(3-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-6-3-7-18-16(13)19(10)24(22,23)12-5-2-4-11(17)8-12/h2-8H,9H2,1H3,(H,20,21)
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377n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296856
PNG
(2-(2-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H16N2O4S/c1-11-5-7-13(8-6-11)24(22,23)19-12(2)15(10-16(20)21)14-4-3-9-18-17(14)19/h3-9H,10H2,1-2H3,(H,20,21)
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619n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296858
PNG
(2-(1-(4-chloro-3-(trifluoromethyl)phenylsulfonyl)-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O4S/c1-9-12(8-15(24)25)11-3-2-6-22-16(11)23(9)28(26,27)10-4-5-14(18)13(7-10)17(19,20)21/h2-7H,8H2,1H3,(H,24,25)
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1.17E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296855
PNG
(2-(1-(4-methoxyphenylsulfonyl)-2-methyl-1H-pyrrolo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H16N2O5S/c1-11-15(10-16(20)21)14-4-3-9-18-17(14)19(11)25(22,23)13-7-5-12(24-2)6-8-13/h3-9H,10H2,1-2H3,(H,20,21)
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2.62E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296853
PNG
(2-(1-(2-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O4S/c1-10-12(9-15(20)21)11-5-4-8-18-16(11)19(10)24(22,23)14-7-3-2-6-13(14)17/h2-8H,9H2,1H3,(H,20,21)
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3.22E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50296851
PNG
(2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50296851
PNG
(2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human thromboxane A2 receptor


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296847
PNG
(2-(1-(4-cyano-3-ethoxyphenylsulfonyl)-2-methyl-1H-...)
Show SMILES CCOc1cc(ccc1C#N)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C19H17N3O5S/c1-3-27-17-9-14(7-6-13(17)11-20)28(25,26)22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10H2,1-2H3,(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296849
PNG
(2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N
Show InChI InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296850
PNG
(2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H12FN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


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



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296847
PNG
(2-(1-(4-cyano-3-ethoxyphenylsulfonyl)-2-methyl-1H-...)
Show SMILES CCOc1cc(ccc1C#N)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C19H17N3O5S/c1-3-27-17-9-14(7-6-13(17)11-20)28(25,26)22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10H2,1-2H3,(H,23,24)
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n/an/a 31n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296850
PNG
(2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H12FN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296849
PNG
(2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N
Show InChI InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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n/an/a 41n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296845
PNG
(2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296849
PNG
(2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N
Show InChI InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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n/an/a 56n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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n/an/a 91n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296850
PNG
(2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H12FN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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n/an/a 101n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296851
PNG
(2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)
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n/an/a 108n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296857
PNG
(2-(1-(3,4-dichlorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 112n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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n/an/a 148n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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n/an/a 156n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Mus musculus (mouse))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a 167n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against mouse CRTh2 receptor expressed in K562 cells by [35S]GTPgamma binding assay


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 195n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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PubMed
n/an/a 210n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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n/an/a 248n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296845
PNG
(2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22)
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PubMed
n/an/a 311n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296857
PNG
(2-(1-(3,4-dichlorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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Article
PubMed
n/an/a 354n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296857
PNG
(2-(1-(3,4-dichlorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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PubMed
n/an/a 629n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CCKalpha receptor


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against prostaglandin E2 receptor


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against prostaglandin E3 receptor


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
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