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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'willard' and Initial = 'e'   
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))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233524
PNG
(CHEMBL3981414)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O4S/c1-11-15(9-17(22)23)14-4-3-7-20-18(14)21(11)10-12-5-6-13(8-16(12)19)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
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4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233523
PNG
(CHEMBL3931906)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(Cl)c1
Show InChI InChI=1S/C19H19ClN2O4S/c1-3-27(25,26)14-7-6-13(17(20)9-14)11-22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10-11H2,1-2H3,(H,23,24)
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6n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233522
PNG
(CHEMBL3932668)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O4S/c1-3-30(28,29)14-7-6-13(17(9-14)20(21,22)23)11-25-12(2)16(10-18(26)27)15-5-4-8-24-19(15)25/h4-9H,3,10-11H2,1-2H3,(H,26,27)
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7n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233525
PNG
(CHEMBL4094939)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H19NO4S/c1-13-17(11-19(21)22)16-5-3-4-6-18(16)20(13)12-14-7-9-15(10-8-14)25(2,23)24/h3-10H,11-12H2,1-2H3,(H,21,22)
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19n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233528
PNG
(CHEMBL3912535)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-10-14(8-16(28)29)13-3-2-6-26-17(13)27(10)9-11-4-5-12(18(20,21)22)7-15(11)19(23,24)25/h2-7H,8-9H2,1H3,(H,28,29)
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29n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233521
PNG
(CHEMBL3975922)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C)S(C)(=O)=O
Show InChI InChI=1S/C19H20N2O4S/c1-12-9-15(26(3,24)25)7-6-14(12)11-21-13(2)17(10-18(22)23)16-5-4-8-20-19(16)21/h4-9H,10-11H2,1-3H3,(H,22,23)
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31n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233526
PNG
(CHEMBL3983909)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-14(9-17(25)26)13-4-3-7-23-18(13)24(11)10-12-5-6-16(29(2,27)28)15(8-12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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31n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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36n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233530
PNG
(CHEMBL4086277)
Show SMILES CCc1ccc2c(CC(O)=O)c(C)n(Cc3ccc(cc3)S(C)(=O)=O)c2n1
Show InChI InChI=1S/C20H22N2O4S/c1-4-15-7-10-17-18(11-19(23)24)13(2)22(20(17)21-15)12-14-5-8-16(9-6-14)27(3,25)26/h5-10H,4,11-12H2,1-3H3,(H,23,24)
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47n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233529
PNG
(CHEMBL4073398)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1
Show InChI InChI=1S/C19H20N2O4S/c1-3-26(24,25)15-8-6-14(7-9-15)12-21-13(2)17(11-18(22)23)16-5-4-10-20-19(16)21/h4-10H,3,11-12H2,1-2H3,(H,22,23)
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50n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233532
PNG
(CHEMBL4064804)
Show SMILES Cc1c(CC(O)=O)c2ccc(C)nc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H20N2O4S/c1-12-4-9-16-17(10-18(22)23)13(2)21(19(16)20-12)11-14-5-7-15(8-6-14)26(3,24)25/h4-9H,10-11H2,1-3H3,(H,22,23)
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72n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233527
PNG
(CHEMBL3922383)
Show SMILES CC(C)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1
Show InChI InChI=1S/C20H22N2O4S/c1-13(2)27(25,26)16-8-6-15(7-9-16)12-22-14(3)18(11-19(23)24)17-5-4-10-21-20(17)22/h4-10,13H,11-12H2,1-3H3,(H,23,24)
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86n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233533
PNG
(CHEMBL4067518)
Show SMILES Cc1c(CC(O)=O)c2c(Cl)ccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O4S/c1-11-14(9-16(22)23)17-15(19)7-8-20-18(17)21(11)10-12-3-5-13(6-4-12)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
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356n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233531
PNG
(CHEMBL4102679)
Show SMILES Cc1c(CC(O)=O)c2cc(Br)cnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17BrN2O4S/c1-11-15(8-17(22)23)16-7-13(19)9-20-18(16)21(11)10-12-3-5-14(6-4-12)26(2,24)25/h3-7,9H,8,10H2,1-2H3,(H,22,23)
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735n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233534
PNG
(CHEMBL4078419)
Show SMILES Cc1c(CC(O)=O)c2cc(C)cnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H20N2O4S/c1-12-8-17-16(9-18(22)23)13(2)21(19(17)20-10-12)11-14-4-6-15(7-5-14)26(3,24)25/h4-8,10H,9,11H2,1-3H3,(H,22,23)
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1.34E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233522
PNG
(CHEMBL3932668)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O4S/c1-3-30(28,29)14-7-6-13(17(9-14)20(21,22)23)11-25-12(2)16(10-18(26)27)15-5-4-8-24-19(15)25/h4-9H,3,10-11H2,1-2H3,(H,26,27)
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n/an/a 0.800n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in CD4-positive human TH2 cells assessed as inhibition of DK-PGD2-induced IL-13 production after 6 to 8 hrs


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233524
PNG
(CHEMBL3981414)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O4S/c1-11-15(9-17(22)23)14-4-3-7-20-18(14)21(11)10-12-5-6-13(8-16(12)19)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
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n/an/a 1.70n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in CD4-positive human TH2 cells assessed as inhibition of DK-PGD2-induced IL-5 production after 6 to 8 hrs


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in CD4-positive human TH2 cells assessed as inhibition of DK-PGD2-induced IL-5 production after 6 to 8 hrs


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233521
PNG
(CHEMBL3975922)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C)S(C)(=O)=O
Show InChI InChI=1S/C19H20N2O4S/c1-12-9-15(26(3,24)25)7-6-14(12)11-21-13(2)17(10-18(22)23)16-5-4-8-20-19(16)21/h4-9H,10-11H2,1-3H3,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233526
PNG
(CHEMBL3983909)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-14(9-17(25)26)13-4-3-7-23-18(13)24(11)10-12-5-6-16(29(2,27)28)15(8-12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233529
PNG
(CHEMBL4073398)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1
Show InChI InChI=1S/C19H20N2O4S/c1-3-26(24,25)15-8-6-14(7-9-15)12-21-13(2)17(11-18(22)23)16-5-4-10-20-19(16)21/h4-10H,3,11-12H2,1-2H3,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233522
PNG
(CHEMBL3932668)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O4S/c1-3-30(28,29)14-7-6-13(17(9-14)20(21,22)23)11-25-12(2)16(10-18(26)27)15-5-4-8-24-19(15)25/h4-9H,3,10-11H2,1-2H3,(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233530
PNG
(CHEMBL4086277)
Show SMILES CCc1ccc2c(CC(O)=O)c(C)n(Cc3ccc(cc3)S(C)(=O)=O)c2n1
Show InChI InChI=1S/C20H22N2O4S/c1-4-15-7-10-17-18(11-19(23)24)13(2)22(20(17)21-15)12-14-5-8-16(9-6-14)27(3,25)26/h5-10H,4,11-12H2,1-3H3,(H,23,24)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233523
PNG
(CHEMBL3931906)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(Cl)c1
Show InChI InChI=1S/C19H19ClN2O4S/c1-3-27(25,26)14-7-6-13(17(20)9-14)11-22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10-11H2,1-2H3,(H,23,24)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233523
PNG
(CHEMBL3931906)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(Cl)c1
Show InChI InChI=1S/C19H19ClN2O4S/c1-3-27(25,26)14-7-6-13(17(20)9-14)11-22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10-11H2,1-2H3,(H,23,24)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233526
PNG
(CHEMBL3983909)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-14(9-17(25)26)13-4-3-7-23-18(13)24(11)10-12-5-6-16(29(2,27)28)15(8-12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233528
PNG
(CHEMBL3912535)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-10-14(8-16(28)29)13-3-2-6-26-17(13)27(10)9-11-4-5-12(18(20,21)22)7-15(11)19(23,24)25/h2-7H,8-9H2,1H3,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233525
PNG
(CHEMBL4094939)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H19NO4S/c1-13-17(11-19(21)22)16-5-3-4-6-18(16)20(13)12-14-7-9-15(10-8-14)25(2,23)24/h3-10H,11-12H2,1-2H3,(H,21,22)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in CD4-positive human TH2 cells assessed as inhibition of DK-PGD2-induced IL-13 production after 6 to 8 hrs


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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n/an/a 31n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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n/an/a 31n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233521
PNG
(CHEMBL3975922)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C)S(C)(=O)=O
Show InChI InChI=1S/C19H20N2O4S/c1-12-9-15(26(3,24)25)7-6-14(12)11-21-13(2)17(10-18(22)23)16-5-4-8-20-19(16)21/h4-9H,10-11H2,1-3H3,(H,22,23)
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233524
PNG
(CHEMBL3981414)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O4S/c1-11-15(9-17(22)23)14-4-3-7-20-18(14)21(11)10-12-5-6-13(8-16(12)19)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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n/an/a 59n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in CD4-positive human TH2 cells assessed as inhibition of DK-PGD2-induced IL-5 production after 6 to 8 hrs


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233533
PNG
(CHEMBL4067518)
Show SMILES Cc1c(CC(O)=O)c2c(Cl)ccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O4S/c1-11-14(9-16(22)23)17-15(19)7-8-20-18(17)21(11)10-12-3-5-13(6-4-12)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
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n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233525
PNG
(CHEMBL4094939)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H19NO4S/c1-13-17(11-19(21)22)16-5-3-4-6-18(16)20(13)12-14-7-9-15(10-8-14)25(2,23)24/h3-10H,11-12H2,1-2H3,(H,21,22)
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n/an/a 188n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233528
PNG
(CHEMBL3912535)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O2/c1-10-14(8-16(28)29)13-3-2-6-26-17(13)27(10)9-11-4-5-12(18(20,21)22)7-15(11)19(23,24)25/h2-7H,8-9H2,1H3,(H,28,29)
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n/an/a 214n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followe...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor (unknown origin)


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EP2 receptor (unknown origin)


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP1 receptor (unknown origin)


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at IP receptor (unknown origin)


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at FP receptor (unknown origin)


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EP3 receptor (unknown origin)


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at TP receptor (unknown origin)


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50233520
PNG
(Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
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