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Compile Data Set for Download or QSAR

Found 86 hits from AskAt Inc.   
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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP1 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant EP4 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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13n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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20n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant EP4 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E receptor 4


(Canis lupus familiaris)
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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24n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at dog recombinant EP4 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E receptor 4


(Canis lupus familiaris)
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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38n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at dog recombinant EP4 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
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73n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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1.84E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP2 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet TP receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP1 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP2 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human IP receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50107283
PNG
(AAT-007 | CJ-023 | GRAPIPRANT | Grapiprant | MR-10...)
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)
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>5.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human FP receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet TP receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at human IP receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at human FP receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232550
PNG
(CHEMBL4062620)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl2N2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-10-16(23)11-24-20(18)29-17-4-2-3-15(22)9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50355882
PNG
(CHEMBL591666)
Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232545
PNG
(CHEMBL4078648)
Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-5-7-15(8-6-14)22(27)28)25-21(26)19-11-16(23)9-10-20(19)29-18-4-2-3-17(24)12-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232543
PNG
(CHEMBL4096216)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232548
PNG
(CHEMBL4094572)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C#N)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H16ClN3O4/c1-13(15-5-7-16(8-6-15)22(28)29)26-20(27)19-10-17(23)12-25-21(19)30-18-4-2-3-14(9-18)11-24/h2-10,12-13H,1H3,(H,26,27)(H,28,29)/t13-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232550
PNG
(CHEMBL4062620)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl2N2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-10-16(23)11-24-20(18)29-17-4-2-3-15(22)9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232562
PNG
(CHEMBL4066230)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H15ClFNO4/c22-15-5-10-19(28-17-8-6-16(23)7-9-17)18(11-15)20(25)24-12-13-1-3-14(4-2-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232543
PNG
(CHEMBL4096216)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232563
PNG
(CHEMBL4095293)
Show SMILES C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16F2N2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-16(23)11-24-20(18)29-17-8-6-15(22)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232545
PNG
(CHEMBL4078648)
Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-5-7-15(8-6-14)22(27)28)25-21(26)19-11-16(23)9-10-20(19)29-18-4-2-3-17(24)12-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232548
PNG
(CHEMBL4094572)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C#N)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H16ClN3O4/c1-13(15-5-7-16(8-6-15)22(28)29)26-20(27)19-10-17(23)12-25-21(19)30-18-4-2-3-14(9-18)11-24/h2-10,12-13H,1H3,(H,26,27)(H,28,29)/t13-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50355882
PNG
(CHEMBL591666)
Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232547
PNG
(CHEMBL4065183)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14ClFN2O4/c21-14-9-17(19(24-11-14)28-16-7-5-15(22)6-8-16)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232556
PNG
(CHEMBL4095176)
Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17Cl2NO4/c1-13(14-5-7-15(8-6-14)22(27)28)25-21(26)19-12-17(24)9-10-20(19)29-18-4-2-3-16(23)11-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232560
PNG
(CHEMBL4061149)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cc(F)cc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H15ClF2N2O4/c1-11(12-2-4-13(5-3-12)21(28)29)26-19(27)18-6-14(22)10-25-20(18)30-17-8-15(23)7-16(24)9-17/h2-11H,1H3,(H,26,27)(H,28,29)/t11-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232557
PNG
(CHEMBL4074660)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)c(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H15ClF2N2O4/c1-11(12-2-4-13(5-3-12)21(28)29)26-19(27)16-8-14(22)10-25-20(16)30-15-6-7-17(23)18(24)9-15/h2-11H,1H3,(H,26,27)(H,28,29)/t11-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232559
PNG
(CHEMBL4089315)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cc(F)ccc1F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H15ClF2N2O4/c1-11(12-2-4-13(5-3-12)21(28)29)26-19(27)16-8-14(22)10-25-20(16)30-18-9-15(23)6-7-17(18)24/h2-11H,1H3,(H,26,27)(H,28,29)/t11-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232558
PNG
(CHEMBL4095118)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H15ClF2N2O4/c1-11(12-5-7-13(8-6-12)21(28)29)26-19(27)15-9-14(22)10-25-20(15)30-17-4-2-3-16(23)18(17)24/h2-11H,1H3,(H,26,27)(H,28,29)/t11-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232552
PNG
(CHEMBL4074035)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H16ClF3N2O4/c1-12(13-5-7-14(8-6-13)21(30)31)28-19(29)18-10-16(23)11-27-20(18)32-17-4-2-3-15(9-17)22(24,25)26/h2-12H,1H3,(H,28,29)(H,30,31)/t12-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232572
PNG
(CHEMBL4064393)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-6-8-14(9-7-13)21(27)28)25-19(26)16-10-15(22)11-24-20(16)29-18-5-3-2-4-17(18)23/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232573
PNG
(CHEMBL4102314)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1Cl)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl2N2O4/c1-12(13-6-8-14(9-7-13)21(27)28)25-19(26)16-10-15(22)11-24-20(16)29-18-5-3-2-4-17(18)23/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232551
PNG
(CHEMBL4084355)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(Cl)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl2N2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-16(23)11-24-20(18)29-17-8-6-15(22)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232562
PNG
(CHEMBL4066230)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H15ClFNO4/c22-15-5-10-19(28-17-8-6-16(23)7-9-17)18(11-15)20(25)24-12-13-1-3-14(4-2-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
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n/an/a 101n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
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n/an/a 104n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232549
PNG
(CHEMBL4092846)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H15F2NO4/c22-15-5-8-17(9-6-15)28-19-10-7-16(23)11-18(19)20(25)24-12-13-1-3-14(4-2-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
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n/an/a 124n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232575
PNG
(CHEMBL4102924)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H15Cl2N3O4/c1-11(12-2-4-13(5-3-12)20(27)28)25-18(26)17-7-15(22)9-24-19(17)29-16-6-14(21)8-23-10-16/h2-11H,1H3,(H,25,26)(H,27,28)/t11-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232563
PNG
(CHEMBL4095293)
Show SMILES C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16F2N2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-16(23)11-24-20(18)29-17-8-6-15(22)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232555
PNG
(CHEMBL4086496)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cncc(F)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H15ClFN3O4/c1-11(12-2-4-13(5-3-12)20(27)28)25-18(26)17-6-14(21)8-24-19(17)29-16-7-15(22)9-23-10-16/h2-11H,1H3,(H,25,26)(H,27,28)/t11-/m0/s1
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n/an/a 175n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232576
PNG
(CHEMBL4072974)
Show SMILES CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H18F2N2O4/c1-2-19(13-3-5-14(6-4-13)22(28)29)26-20(27)18-11-16(24)12-25-21(18)30-17-9-7-15(23)8-10-17/h3-12,19H,2H2,1H3,(H,26,27)(H,28,29)
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n/an/a 181n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
More data for this
Ligand-Target Pair
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