BindingDB logo
myBDB logout

PubMed code 26764191

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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 E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.40E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.75E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.89E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140261
PNG
(CHEMBL3753860)
Show SMILES Cc1ccc(cc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)-c1cccc(CO)c1
Show InChI InChI=1S/C24H23NO4/c1-14-7-8-19(18-6-4-5-17(11-18)13-26)12-21(14)23(27)25-22-15(2)9-20(24(28)29)10-16(22)3/h4-12,26H,13H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140253
PNG
(CHEMBL3752948)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1nc(ccc1C(F)(F)F)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C23H19F3N2O4/c1-12-8-16(22(31)32)9-13(2)19(12)28-21(30)20-17(23(24,25)26)6-7-18(27-20)15-5-3-4-14(10-15)11-29/h3-10,29H,11H2,1-2H3,(H,28,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.670n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140264
PNG
(CHEMBL3753835)
Show SMILES Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-8-19(17-6-4-5-16(11-17)12-26)24-21(13)22(27)25-20-14(2)9-18(23(28)29)10-15(20)3/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.670n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140262
PNG
(CHEMBL3753567)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1cc(ccc1F)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C23H20FNO4/c1-13-8-18(23(28)29)9-14(2)21(13)25-22(27)19-11-17(6-7-20(19)24)16-5-3-4-15(10-16)12-26/h3-11,26H,12H2,1-2H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.730n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140254
PNG
(CHEMBL3753372)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClN2O3/c1-12-7-9-17(22(27)28)14(3)19(12)25-21(26)20-13(2)8-10-18(24-20)15-5-4-6-16(23)11-15/h4-11H,1-3H3,(H,25,26)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140263
PNG
(CHEMBL3753286)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C(F)(F)F)-c1cccc(CO)c1
Show InChI InChI=1S/C23H19F3N2O4/c1-12-6-7-16(22(31)32)13(2)19(12)28-21(30)20-17(23(24,25)26)8-9-18(27-20)15-5-3-4-14(10-15)11-29/h3-10,29H,11H2,1-2H3,(H,28,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140259
PNG
(CHEMBL3753274)
Show SMILES Cc1ccc(cc1C(=O)Nc1c(C)ccc(C(O)=O)c1C)-c1cccc(CO)c1
Show InChI InChI=1S/C24H23NO4/c1-14-7-9-19(18-6-4-5-17(11-18)13-26)12-21(14)23(27)25-22-15(2)8-10-20(16(22)3)24(28)29/h4-12,26H,13H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140256
PNG
(CHEMBL3740223)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(CO)c1
Show InChI InChI=1S/C27H23NO4/c1-16-10-11-22(27(31)32)17(2)25(16)28-26(30)24-14-21(13-20-7-3-4-9-23(20)24)19-8-5-6-18(12-19)15-29/h3-14,29H,15H2,1-2H3,(H,28,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335990
PNG
(2,6-dichloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C
Show InChI InChI=1S/C34H33Cl2N3O6S/c1-4-44-29-22-9-6-7-10-23(22)30(45-5-2)28-24(29)19-39(32(28)40)27-14-13-21(17-20(27)3)18-34(15-16-34)37-33(41)38-46(42,43)31-25(35)11-8-12-26(31)36/h6-14,17H,4-5,15-16,18-19H2,1-3H3,(H2,37,38,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140258
PNG
(CHEMBL3740325)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140260
PNG
(CHEMBL3753133)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(ccc1F)-c1cccc(CO)c1
Show InChI InChI=1S/C23H20FNO4/c1-13-6-8-18(23(28)29)14(2)21(13)25-22(27)19-11-17(7-9-20(19)24)16-5-3-4-15(10-16)12-26/h3-11,26H,12H2,1-2H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140256
PNG
(CHEMBL3740223)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(CO)c1
Show InChI InChI=1S/C27H23NO4/c1-16-10-11-22(27(31)32)17(2)25(16)28-26(30)24-14-21(13-20-7-3-4-9-23(20)24)19-8-5-6-18(12-19)15-29/h3-14,29H,15H2,1-2H3,(H,28,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140261
PNG
(CHEMBL3753860)
Show SMILES Cc1ccc(cc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)-c1cccc(CO)c1
Show InChI InChI=1S/C24H23NO4/c1-14-7-8-19(18-6-4-5-17(11-18)13-26)12-21(14)23(27)25-22-15(2)9-20(24(28)29)10-16(22)3/h4-12,26H,13H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140262
PNG
(CHEMBL3753567)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1cc(ccc1F)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C23H20FNO4/c1-13-8-18(23(28)29)9-14(2)21(13)25-22(27)19-11-17(6-7-20(19)24)16-5-3-4-15(10-16)12-26/h3-11,26H,12H2,1-2H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140264
PNG
(CHEMBL3753835)
Show SMILES Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-8-19(17-6-4-5-16(11-17)12-26)24-21(13)22(27)25-20-14(2)9-18(23(28)29)10-15(20)3/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140263
PNG
(CHEMBL3753286)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C(F)(F)F)-c1cccc(CO)c1
Show InChI InChI=1S/C23H19F3N2O4/c1-12-6-7-16(22(31)32)13(2)19(12)28-21(30)20-17(23(24,25)26)8-9-18(27-20)15-5-3-4-14(10-15)11-29/h3-10,29H,11H2,1-2H3,(H,28,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140259
PNG
(CHEMBL3753274)
Show SMILES Cc1ccc(cc1C(=O)Nc1c(C)ccc(C(O)=O)c1C)-c1cccc(CO)c1
Show InChI InChI=1S/C24H23NO4/c1-14-7-9-19(18-6-4-5-17(11-18)13-26)12-21(14)23(27)25-22-15(2)8-10-20(16(22)3)24(28)29/h4-12,26H,13H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140260
PNG
(CHEMBL3753133)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(ccc1F)-c1cccc(CO)c1
Show InChI InChI=1S/C23H20FNO4/c1-13-6-8-18(23(28)29)14(2)21(13)25-22(27)19-11-17(7-9-20(19)24)16-5-3-4-15(10-16)12-26/h3-11,26H,12H2,1-2H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335990
PNG
(2,6-dichloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C
Show InChI InChI=1S/C34H33Cl2N3O6S/c1-4-44-29-22-9-6-7-10-23(22)30(45-5-2)28-24(29)19-39(32(28)40)27-14-13-21(17-20(27)3)18-34(15-16-34)37-33(41)38-46(42,43)31-25(35)11-8-12-26(31)36/h6-14,17H,4-5,15-16,18-19H2,1-3H3,(H2,37,38,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140253
PNG
(CHEMBL3752948)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1nc(ccc1C(F)(F)F)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C23H19F3N2O4/c1-12-8-16(22(31)32)9-13(2)19(12)28-21(30)20-17(23(24,25)26)6-7-18(27-20)15-5-3-4-14(10-15)11-29/h3-10,29H,11H2,1-2H3,(H,28,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 121n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140258
PNG
(CHEMBL3740325)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 243n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140254
PNG
(CHEMBL3753372)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClN2O3/c1-12-7-9-17(22(27)28)14(3)19(12)25-21(26)20-13(2)8-10-18(24-20)15-5-4-6-16(23)11-15/h4-11H,1-3H3,(H,25,26)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 637n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | Grapiprant | MR-10A7 | RQ-00000...)
Show SMILES CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 (unknown origin)


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50140255
PNG
(CHEMBL3754085)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%