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PubMed code 10509919

Compile data set for download or QSAR
Found 103 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 EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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16n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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17n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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18n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081436
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(CCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H32N2O4S/c40-36(25-20-27-10-2-1-3-11-27)38-44(42,43)35-17-9-7-14-32(35)30-21-18-28(19-22-30)26-39-34-16-8-5-13-31(34)24-23-29-12-4-6-15-33(29)37(39)41/h1-19,21-22H,20,23-26H2,(H,38,40)
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47n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081438
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m1/s1
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50n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081452
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O4S/c39-35(24-26-10-2-1-3-11-26)37-43(41,42)34-17-9-7-14-31(34)29-20-18-27(19-21-29)25-38-33-16-8-5-13-30(33)23-22-28-12-4-6-15-32(28)36(38)40/h1-21H,22-25H2,(H,37,39)
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57n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081435
PNG
(CHEMBL328697 | sulfonylurea analogue)
Show SMILES O=C(NCCc1cccs1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H31N3O4S2/c39-34-31-12-3-1-8-26(31)19-20-28-9-2-5-13-32(28)38(34)24-25-15-17-27(18-16-25)30-11-4-6-14-33(30)44(41,42)37-35(40)36-22-21-29-10-7-23-43-29/h1-18,23H,19-22,24H2,(H2,36,37,40)
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100n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081450
PNG
(CHEMBL90269 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H33N3O4S/c41-36-33-15-6-4-12-29(33)22-23-31-13-5-8-16-34(31)40(36)26-28-18-20-30(21-19-28)32-14-7-9-17-35(32)45(43,44)39-37(42)38-25-24-27-10-2-1-3-11-27/h1-21H,22-26H2,(H2,38,39,42)
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120n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081434
PNG
(CHEMBL327597 | sulfonylurea analogue)
Show SMILES C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H33N3O4S/c1-26(28-11-3-2-4-12-28)38-37(42)39-45(43,44)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-40-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)36(40)41/h2-22,26H,23-25H2,1H3,(H2,38,39,42)/t26-/m0/s1
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140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081448
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O5S/c39-35(25-43-30-12-2-1-3-13-30)37-44(41,42)34-17-9-7-14-31(34)28-20-18-26(19-21-28)24-38-33-16-8-5-11-29(33)23-22-27-10-4-6-15-32(27)36(38)40/h1-21H,22-25H2,(H,37,39)
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140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081447
PNG
(CHEMBL91063 | sulfonylurea analogue)
Show SMILES O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)OCc1ccccc1
Show InChI InChI=1S/C36H30N2O5S/c39-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)38(35)24-26-18-20-29(21-19-26)31-14-7-9-17-34(31)44(41,42)37-36(40)43-25-27-10-2-1-3-11-27/h1-21H,22-25H2,(H,37,40)
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150n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
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200n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081446
PNG
(CHEMBL91270 | sulfonylurea analogue)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-2-3-22-34-33(38)35-41(39,40)31-15-9-7-12-28(31)26-18-16-24(17-19-26)23-36-30-14-8-5-11-27(30)21-20-25-10-4-6-13-29(25)32(36)37/h4-19H,2-3,20-23H2,1H3,(H2,34,35,38)
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220n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081437
PNG
(CHEMBL327596 | sulfonylurea analogue)
Show SMILES CN(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(38(43)39-26-25-28-11-3-2-4-12-28)46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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360n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081443
PNG
(CHEMBL90935 | sulfonylurea analogue)
Show SMILES O=C(NCCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c42-37-34-17-6-4-14-30(34)24-25-32-15-5-8-18-35(32)41(37)27-29-20-22-31(23-21-29)33-16-7-9-19-36(33)46(44,45)40-38(43)39-26-10-13-28-11-2-1-3-12-28/h1-9,11-12,14-23H,10,13,24-27H2,(H2,39,40,43)
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400n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081456
PNG
(CHEMBL88154 | sulfonylurea analogue)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-33(2,3)34-32(38)35-41(39,40)30-15-9-7-12-27(30)25-18-16-23(17-19-25)22-36-29-14-8-5-11-26(29)21-20-24-10-4-6-13-28(24)31(36)37/h4-19H,20-22H2,1-3H3,(H2,34,35,38)
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770n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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1.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human TP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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1.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081456
PNG
(CHEMBL88154 | sulfonylurea analogue)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-33(2,3)34-32(38)35-41(39,40)30-15-9-7-12-27(30)25-18-16-23(17-19-25)22-36-29-14-8-5-11-26(29)21-20-24-10-4-6-13-28(24)31(36)37/h4-19H,20-22H2,1-3H3,(H2,34,35,38)
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081451
PNG
(CHEMBL314097 | sulfonylurea analogue)
Show SMILES O=C(NCCc1cccs1)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c3ccccc3c3ccccc3c2=O)cc1
Show InChI InChI=1S/C33H27N3O4S2/c37-32-29-12-2-1-10-27(29)28-11-3-5-13-30(28)36(32)22-23-15-17-24(18-16-23)26-9-4-6-14-31(26)42(39,40)35-33(38)34-20-19-25-8-7-21-41-25/h1-18,21H,19-20,22H2,(H2,34,35,38)
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid FP receptor


(Homo sapiens (Human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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1.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human FP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human TP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081438
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human DP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human TP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081435
PNG
(CHEMBL328697 | sulfonylurea analogue)
Show SMILES O=C(NCCc1cccs1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H31N3O4S2/c39-34-31-12-3-1-8-26(31)19-20-28-9-2-5-13-32(28)38(34)24-25-15-17-27(18-16-25)30-11-4-6-14-33(30)44(41,42)37-35(40)36-22-21-29-10-7-23-43-29/h1-18,23H,19-22,24H2,(H2,36,37,40)
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2.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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2.40E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human DP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081447
PNG
(CHEMBL91063 | sulfonylurea analogue)
Show SMILES O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)OCc1ccccc1
Show InChI InChI=1S/C36H30N2O5S/c39-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)38(35)24-26-18-20-29(21-19-26)31-14-7-9-17-34(31)44(41,42)37-36(40)43-25-27-10-2-1-3-11-27/h1-21H,22-25H2,(H,37,40)
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2.40E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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2.40E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human DP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081455
PNG
(CHEMBL316278 | sulfonylurea analogue)
Show SMILES O=C(NCCc1cccs1)NS(=O)(=O)c1ccccc1-c1ccc(CN2Cc3ccccc3CCc3ccccc23)cc1
Show InChI InChI=1S/C35H33N3O3S2/c39-35(36-22-21-31-11-7-23-42-31)37-43(40,41)34-14-6-4-12-32(34)28-17-15-26(16-18-28)24-38-25-30-10-2-1-8-27(30)19-20-29-9-3-5-13-33(29)38/h1-18,23H,19-22,24-25H2,(H2,36,37,39)
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081452
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O4S/c39-35(24-26-10-2-1-3-11-26)37-43(41,42)34-17-9-7-14-31(34)29-20-18-27(19-21-29)25-38-33-16-8-5-13-30(33)23-22-28-12-4-6-15-32(28)36(38)40/h1-21H,22-25H2,(H,37,39)
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human TP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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2.87E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human DP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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3.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human TP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081438
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081436
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(CCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H32N2O4S/c40-36(25-20-27-10-2-1-3-11-27)38-44(42,43)35-17-9-7-14-32(35)30-21-18-28(19-22-30)26-39-34-16-8-5-13-31(34)24-23-29-12-4-6-15-33(29)37(39)41/h1-19,21-22H,20,23-26H2,(H,38,40)
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3.60E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid FP receptor


(Homo sapiens (Human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human FP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human DP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081441
PNG
(CHEMBL262690 | sulfonylurea analogue)
Show SMILES O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H29N3O4S/c39-34-31-15-6-4-10-26(31)22-23-28-11-5-8-16-32(28)38(34)24-25-18-20-27(21-19-25)30-14-7-9-17-33(30)43(41,42)37-35(40)36-29-12-2-1-3-13-29/h1-21H,22-24H2,(H2,36,37,40)
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4.60E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081448
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O5S/c39-35(25-43-30-12-2-1-3-13-30)37-44(41,42)34-17-9-7-14-31(34)28-20-18-26(19-21-28)24-38-33-16-8-5-11-29(33)23-22-27-10-4-6-15-32(27)36(38)40/h1-21H,22-25H2,(H,37,39)
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4.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081434
PNG
(CHEMBL327597 | sulfonylurea analogue)
Show SMILES C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H33N3O4S/c1-26(28-11-3-2-4-12-28)38-37(42)39-45(43,44)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-40-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)36(40)41/h2-22,26H,23-25H2,1H3,(H2,38,39,42)/t26-/m0/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081456
PNG
(CHEMBL88154 | sulfonylurea analogue)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-33(2,3)34-32(38)35-41(39,40)30-15-9-7-12-27(30)25-18-16-23(17-19-25)22-36-29-14-8-5-11-26(29)21-20-24-10-4-6-13-28(24)31(36)37/h4-19H,20-22H2,1-3H3,(H2,34,35,38)
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4.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid FP receptor


(Homo sapiens (Human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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5.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human FP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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5.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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5.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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5.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid FP receptor


(Homo sapiens (Human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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5.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human FP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081446
PNG
(CHEMBL91270 | sulfonylurea analogue)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-2-3-22-34-33(38)35-41(39,40)31-15-9-7-12-28(31)26-18-16-24(17-19-26)23-36-30-14-8-5-11-27(30)21-20-25-10-4-6-13-29(25)32(36)37/h4-19H,2-3,20-23H2,1H3,(H2,34,35,38)
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6.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081447
PNG
(CHEMBL91063 | sulfonylurea analogue)
Show SMILES O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)OCc1ccccc1
Show InChI InChI=1S/C36H30N2O5S/c39-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)38(35)24-26-18-20-29(21-19-26)31-14-7-9-17-34(31)44(41,42)37-36(40)43-25-27-10-2-1-3-11-27/h1-21H,22-25H2,(H,37,40)
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6.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid FP receptor


(Homo sapiens (Human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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6.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human FP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081434
PNG
(CHEMBL327597 | sulfonylurea analogue)
Show SMILES C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H33N3O4S/c1-26(28-11-3-2-4-12-28)38-37(42)39-45(43,44)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-40-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)36(40)41/h2-22,26H,23-25H2,1H3,(H2,38,39,42)/t26-/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081448
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O5S/c39-35(25-43-30-12-2-1-3-13-30)37-44(41,42)34-17-9-7-14-31(34)28-20-18-26(19-21-28)24-38-33-16-8-5-11-29(33)23-22-27-10-4-6-15-32(27)36(38)40/h1-21H,22-25H2,(H,37,39)
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7.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081454
PNG
(CHEMBL91377 | sulfonylurea analogue)
Show SMILES O=C(NCCc1cccs1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H27N3O5S2/c37-32-27-10-1-4-12-29(27)41-30-13-5-3-11-28(30)36(32)22-23-15-17-24(18-16-23)26-9-2-6-14-31(26)43(39,40)35-33(38)34-20-19-25-8-7-21-42-25/h1-18,21H,19-20,22H2,(H2,34,35,38)
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1.08E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081447
PNG
(CHEMBL91063 | sulfonylurea analogue)
Show SMILES O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)OCc1ccccc1
Show InChI InChI=1S/C36H30N2O5S/c39-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)38(35)24-26-18-20-29(21-19-26)31-14-7-9-17-34(31)44(41,42)37-36(40)43-25-27-10-2-1-3-11-27/h1-21H,22-25H2,(H,37,40)
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1.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50081440
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human IP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081438
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CO[C@@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C38H31F3N2O5S/c1-48-37(38(39,40)41,30-13-3-2-4-14-30)36(45)42-49(46,47)34-18-10-8-15-31(34)28-21-19-26(20-22-28)25-43-33-17-9-6-12-29(33)24-23-27-11-5-7-16-32(27)35(43)44/h2-22H,23-25H2,1H3,(H,42,45)/t37-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081436
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(CCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H32N2O4S/c40-36(25-20-27-10-2-1-3-11-27)38-44(42,43)35-17-9-7-14-32(35)30-21-18-28(19-22-30)26-39-34-16-8-5-13-31(34)24-23-29-12-4-6-15-33(29)37(39)41/h1-19,21-22H,20,23-26H2,(H,38,40)
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1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
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1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081452
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O4S/c39-35(24-26-10-2-1-3-11-26)37-43(41,42)34-17-9-7-14-31(34)29-20-18-27(19-21-29)25-38-33-16-8-5-13-30(33)23-22-28-12-4-6-15-32(28)36(38)40/h1-21H,22-25H2,(H,37,39)
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1.40E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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1.60E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081441
PNG
(CHEMBL262690 | sulfonylurea analogue)
Show SMILES O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H29N3O4S/c39-34-31-15-6-4-10-26(31)22-23-28-11-5-8-16-32(28)38(34)24-25-18-20-27(21-19-25)30-14-7-9-17-33(30)43(41,42)37-35(40)36-29-12-2-1-3-13-29/h1-21H,22-24H2,(H2,36,37,40)
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1.60E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081441
PNG
(CHEMBL262690 | sulfonylurea analogue)
Show SMILES O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H29N3O4S/c39-34-31-15-6-4-10-26(31)22-23-28-11-5-8-16-32(28)38(34)24-25-18-20-27(21-19-25)30-14-7-9-17-33(30)43(41,42)37-35(40)36-29-12-2-1-3-13-29/h1-21H,22-24H2,(H2,36,37,40)
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1.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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2.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081434
PNG
(CHEMBL327597 | sulfonylurea analogue)
Show SMILES C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H33N3O4S/c1-26(28-11-3-2-4-12-28)38-37(42)39-45(43,44)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-40-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)36(40)41/h2-22,26H,23-25H2,1H3,(H2,38,39,42)/t26-/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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2.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human IP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081441
PNG
(CHEMBL262690 | sulfonylurea analogue)
Show SMILES O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H29N3O4S/c39-34-31-15-6-4-10-26(31)22-23-28-11-5-8-16-32(28)38(34)24-25-18-20-27(21-19-25)30-14-7-9-17-33(30)43(41,42)37-35(40)36-29-12-2-1-3-13-29/h1-21H,22-24H2,(H2,36,37,40)
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2.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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2.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human IP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081448
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O5S/c39-35(25-43-30-12-2-1-3-13-30)37-44(41,42)34-17-9-7-14-31(34)28-20-18-26(19-21-28)24-38-33-16-8-5-11-29(33)23-22-27-10-4-6-15-32(27)36(38)40/h1-21H,22-25H2,(H,37,39)
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2.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
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2.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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2.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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2.83E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human IP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081449
PNG
(CHEMBL91301 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C44H39N3O4S/c48-43-40-20-9-7-17-36(40)27-28-38-18-8-11-21-41(38)46(43)31-35-23-25-37(26-24-35)39-19-10-12-22-42(39)52(50,51)47(32-34-15-5-2-6-16-34)44(49)45-30-29-33-13-3-1-4-14-33/h1-26H,27-32H2,(H,45,49)
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5.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081450
PNG
(CHEMBL90269 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H33N3O4S/c41-36-33-15-6-4-12-29(33)22-23-31-13-5-8-16-34(31)40(36)26-28-18-20-30(21-19-28)32-14-7-9-17-35(32)45(43,44)39-37(42)38-25-24-27-10-2-1-3-11-27/h1-21H,22-26H2,(H2,38,39,42)
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5.12E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50081439
PNG
(CHEMBL92539 | sulfonylurea analogue)
Show SMILES CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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5.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human IP receptors by using Aequorin luminescence-based functional calcium assay


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081453
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081449
PNG
(CHEMBL91301 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C44H39N3O4S/c48-43-40-20-9-7-17-36(40)27-28-38-18-8-11-21-41(38)46(43)31-35-23-25-37(26-24-35)39-19-10-12-22-42(39)52(50,51)47(32-34-15-5-2-6-16-34)44(49)45-30-29-33-13-3-1-4-14-33/h1-26H,27-32H2,(H,45,49)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081446
PNG
(CHEMBL91270 | sulfonylurea analogue)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-2-3-22-34-33(38)35-41(39,40)31-15-9-7-12-28(31)26-18-16-24(17-19-26)23-36-30-14-8-5-11-27(30)21-20-25-10-4-6-13-29(25)32(36)37/h4-19H,2-3,20-23H2,1H3,(H2,34,35,38)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081449
PNG
(CHEMBL91301 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C44H39N3O4S/c48-43-40-20-9-7-17-36(40)27-28-38-18-8-11-21-41(38)46(43)31-35-23-25-37(26-24-35)39-19-10-12-22-42(39)52(50,51)47(32-34-15-5-2-6-16-34)44(49)45-30-29-33-13-3-1-4-14-33/h1-26H,27-32H2,(H,45,49)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081443
PNG
(CHEMBL90935 | sulfonylurea analogue)
Show SMILES O=C(NCCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c42-37-34-17-6-4-14-30(34)24-25-32-15-5-8-18-35(32)41(37)27-29-20-22-31(23-21-29)33-16-7-9-19-36(33)46(44,45)40-38(43)39-26-10-13-28-11-2-1-3-12-28/h1-9,11-12,14-23H,10,13,24-27H2,(H2,39,40,43)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081437
PNG
(CHEMBL327596 | sulfonylurea analogue)
Show SMILES CN(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(38(43)39-26-25-28-11-3-2-4-12-28)46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081450
PNG
(CHEMBL90269 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H33N3O4S/c41-36-33-15-6-4-12-29(33)22-23-31-13-5-8-16-34(31)40(36)26-28-18-20-30(21-19-28)32-14-7-9-17-35(32)45(43,44)39-37(42)38-25-24-27-10-2-1-3-11-27/h1-21H,22-26H2,(H2,38,39,42)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081436
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(CCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H32N2O4S/c40-36(25-20-27-10-2-1-3-11-27)38-44(42,43)35-17-9-7-14-32(35)30-21-18-28(19-22-30)26-39-34-16-8-5-13-31(34)24-23-29-12-4-6-15-33(29)37(39)41/h1-19,21-22H,20,23-26H2,(H,38,40)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081443
PNG
(CHEMBL90935 | sulfonylurea analogue)
Show SMILES O=C(NCCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c42-37-34-17-6-4-14-30(34)24-25-32-15-5-8-18-35(32)41(37)27-29-20-22-31(23-21-29)33-16-7-9-19-36(33)46(44,45)40-38(43)39-26-10-13-28-11-2-1-3-12-28/h1-9,11-12,14-23H,10,13,24-27H2,(H2,39,40,43)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081437
PNG
(CHEMBL327596 | sulfonylurea analogue)
Show SMILES CN(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(38(43)39-26-25-28-11-3-2-4-12-28)46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081443
PNG
(CHEMBL90935 | sulfonylurea analogue)
Show SMILES O=C(NCCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c42-37-34-17-6-4-14-30(34)24-25-32-15-5-8-18-35(32)41(37)27-29-20-22-31(23-21-29)33-16-7-9-19-36(33)46(44,45)40-38(43)39-26-10-13-28-11-2-1-3-12-28/h1-9,11-12,14-23H,10,13,24-27H2,(H2,39,40,43)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081456
PNG
(CHEMBL88154 | sulfonylurea analogue)
Show SMILES CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-33(2,3)34-32(38)35-41(39,40)30-15-9-7-12-27(30)25-18-16-23(17-19-25)22-36-29-14-8-5-11-26(29)21-20-24-10-4-6-13-28(24)31(36)37/h4-19H,20-22H2,1-3H3,(H2,34,35,38)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081450
PNG
(CHEMBL90269 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H33N3O4S/c41-36-33-15-6-4-12-29(33)22-23-31-13-5-8-16-34(31)40(36)26-28-18-20-30(21-19-28)32-14-7-9-17-35(32)45(43,44)39-37(42)38-25-24-27-10-2-1-3-11-27/h1-21H,22-26H2,(H2,38,39,42)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081435
PNG
(CHEMBL328697 | sulfonylurea analogue)
Show SMILES O=C(NCCc1cccs1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H31N3O4S2/c39-34-31-12-3-1-8-26(31)19-20-28-9-2-5-13-32(28)38(34)24-25-15-17-27(18-16-25)30-11-4-6-14-33(30)44(41,42)37-35(40)36-22-21-29-10-7-23-43-29/h1-18,23H,19-22,24H2,(H2,36,37,40)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081452
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H30N2O4S/c39-35(24-26-10-2-1-3-11-26)37-43(41,42)34-17-9-7-14-31(34)29-20-18-27(19-21-29)25-38-33-16-8-5-13-30(33)23-22-28-12-4-6-15-32(28)36(38)40/h1-21H,22-25H2,(H,37,39)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081449
PNG
(CHEMBL91301 | sulfonylurea analogue)
Show SMILES O=C(NCCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C44H39N3O4S/c48-43-40-20-9-7-17-36(40)27-28-38-18-8-11-21-41(38)46(43)31-35-23-25-37(26-24-35)39-19-10-12-22-42(39)52(50,51)47(32-34-15-5-2-6-16-34)44(49)45-30-29-33-13-3-1-4-14-33/h1-26H,27-32H2,(H,45,49)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081446
PNG
(CHEMBL91270 | sulfonylurea analogue)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C33H33N3O4S/c1-2-3-22-34-33(38)35-41(39,40)31-15-9-7-12-28(31)26-18-16-24(17-19-26)23-36-30-14-8-5-11-27(30)21-20-25-10-4-6-13-29(25)32(36)37/h4-19H,2-3,20-23H2,1H3,(H2,34,35,38)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081435
PNG
(CHEMBL328697 | sulfonylurea analogue)
Show SMILES O=C(NCCc1cccs1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C35H31N3O4S2/c39-34-31-12-3-1-8-26(31)19-20-28-9-2-5-13-32(28)38(34)24-25-15-17-27(18-16-25)30-11-4-6-14-33(30)44(41,42)37-35(40)36-22-21-29-10-7-23-43-29/h1-18,23H,19-22,24H2,(H2,36,37,40)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081437
PNG
(CHEMBL327596 | sulfonylurea analogue)
Show SMILES CN(C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C38H35N3O4S/c1-40(38(43)39-26-25-28-11-3-2-4-12-28)46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


Article DOI: 10.1016/s0960-894x(99)00465-5
BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%