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BDBM50233520 FEVIPIPRANT::Fevipiprant::NVP-QAW039::QAW039

SMILES: Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=GFPPXZDRVCSVNR-UHFFFAOYSA-N

Data: 1 KI  16 IC50  1 Kd  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50233520   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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 CYP3A4


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


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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/an/a 1n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]NVP-QAW039 from human DP2 receptor expressed in CHO cell membranes by TopCount scintillation assay


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


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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 CYP2C9


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


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at EP3 receptor (unknown origin)


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


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at IP receptor (unknown origin)


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


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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 CYP2D6


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


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | 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 3.10n/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)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)