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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50012340   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117700
PNG
(CHEMBL87366 | Thiophene-2-sulfonic acid (3-{4'-[3-...)
Show SMILES O=C(CCc1ccccc1-c1ccc(OCCCOc2cccc(CSCCc3ccccc3)c2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C37H37NO5S3/c39-36(38-46(40,41)37-15-7-25-45-37)21-18-31-12-4-5-14-35(31)32-16-19-33(20-17-32)42-23-8-24-43-34-13-6-11-30(27-34)28-44-26-22-29-9-2-1-3-10-29/h1-7,9-17,19-20,25,27H,8,18,21-24,26,28H2,(H,38,39)
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16n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
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25n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117690
PNG
(CHEMBL86933 | Thiophene-2-sulfonic acid [3-(3'-phe...)
Show SMILES O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-14-7-18-34-28)16-15-24-11-4-5-13-26(24)25-12-6-10-23(20-25)21-33-19-17-22-8-2-1-3-9-22/h1-14,18,20H,15-17,19,21H2,(H,29,30)
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27n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50039916
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cccs1
Show InChI InChI=1S/C31H27F3N4O4S2/c1-2-3-14-28-35-38(25-11-6-5-10-24(25)31(32,33)34)30(40)37(28)20-21-15-17-22(18-16-21)23-9-4-7-13-27(23)44(41,42)36-29(39)26-12-8-19-43-26/h4-13,15-19H,2-3,14,20H2,1H3,(H,36,39)
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46n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117699
PNG
(CHEMBL83518 | Thiophene-2-sulfonic acid [3-(4'-phe...)
Show SMILES O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-11-6-19-34-28)17-16-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-20-18-22-7-2-1-3-8-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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46n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117695
PNG
(CHEMBL87263 | Thiophene-2-sulfonic acid {3-[4'-(3-...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29NO5S2/c1-22-7-4-9-26(21-22)35-19-6-18-34-25-15-12-24(13-16-25)27-10-3-2-8-23(27)14-17-28(31)30-37(32,33)29-11-5-20-36-29/h2-5,7-13,15-16,20-21H,6,14,17-19H2,1H3,(H,30,31)
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53n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50403949
PNG
(CHEMBL2112332)
Show SMILES C(Cc1ccccc1)SCc1ccc(cc1)-c1ccccc1CCc1nnn[nH]1
Show InChI InChI=1S/C24H24N4S/c1-2-6-19(7-3-1)16-17-29-18-20-10-12-22(13-11-20)23-9-5-4-8-21(23)14-15-24-25-27-28-26-24/h1-13H,14-18H2,(H,25,26,27,28)
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63n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50117697
PNG
(CHEMBL431612 | Thiophene-2-sulfonic acid [3-(2'-ph...)
Show SMILES O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-15-8-19-34-28)17-16-23-11-4-6-13-25(23)26-14-7-5-12-24(26)21-33-20-18-22-9-2-1-3-10-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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83n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117683
PNG
(CHEMBL314616 | Thiophene-2-sulfonic acid ((E)-3-{3...)
Show SMILES Clc1ccc2ccc(\C=C\c3cccc(c3)-c3ccccc3\C=C\C(=O)NS(=O)(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C30H21ClN2O3S2/c31-25-14-11-23-12-16-26(32-28(23)20-25)15-10-21-5-3-7-24(19-21)27-8-2-1-6-22(27)13-17-29(34)33-38(35,36)30-9-4-18-37-30/h1-20H,(H,33,34)/b15-10+,17-13+
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110n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117694
PNG
(CHEMBL83450 | Thiophene-2-sulfonic acid (3-{3'-[(E...)
Show SMILES Clc1ccc2ccc(\C=C\c3cccc(c3)-c3ccccc3CCC(=O)NS(=O)(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C30H23ClN2O3S2/c31-25-14-11-23-12-16-26(32-28(23)20-25)15-10-21-5-3-7-24(19-21)27-8-2-1-6-22(27)13-17-29(34)33-38(35,36)30-9-4-18-37-30/h1-12,14-16,18-20H,13,17H2,(H,33,34)/b15-10+
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120n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H,29,30)
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120n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117681
PNG
(3-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-propi...)
Show SMILES OC(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1
Show InChI InChI=1S/C24H24O2S/c25-24(26)15-14-21-8-4-5-9-23(21)22-12-10-20(11-13-22)18-27-17-16-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,25,26)
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140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117698
PNG
(CHEMBL87797 | N-({[(4'-(3-[3-methylphenyl]-propoxy...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CNC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H28N2O5S2/c1-21-7-4-9-25(19-21)35-17-6-16-34-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-29-28(31)30-37(32,33)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H2,29,30,31)
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150n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117686
PNG
(CHEMBL445895 | Thiophene-2-sulfonic acid [4-(4'-ph...)
Show SMILES O=C(CCCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C29H29NO3S3/c31-28(30-36(32,33)29-14-7-20-35-29)13-6-11-25-10-4-5-12-27(25)26-17-15-24(16-18-26)22-34-21-19-23-8-2-1-3-9-23/h1-5,7-10,12,14-18,20H,6,11,13,19,21-22H2,(H,30,31)
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200n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117696
PNG
(CHEMBL315974 | Thiophene-2-sulfonic acid [3-(3'-me...)
Show SMILES CSc1cccc(c1)-c1ccccc1CCC(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C20H19NO3S3/c1-25-17-8-4-7-16(14-17)18-9-3-2-6-15(18)11-12-19(22)21-27(23,24)20-10-5-13-26-20/h2-10,13-14H,11-12H2,1H3,(H,21,22)
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240n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117691
PNG
(CHEMBL86886 | Thiophene-2-sulfonic acid [2-(4'-phe...)
Show SMILES O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C27H25NO3S3/c29-26(28-34(30,31)27-11-6-17-33-27)19-24-9-4-5-10-25(24)23-14-12-22(13-15-23)20-32-18-16-21-7-2-1-3-8-21/h1-15,17H,16,18-20H2,(H,28,29)
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330n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117687
PNG
(CHEMBL314200 | Thiophene-2-sulfonic acid {2-methyl...)
Show SMILES CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C30H31NO5S2/c1-22-8-5-10-27(20-22)36-18-7-17-35-26-15-13-24(14-16-26)28-11-4-3-9-25(28)21-23(2)30(32)31-38(33,34)29-12-6-19-37-29/h3-6,8-16,19-20,23H,7,17-18,21H2,1-2H3,(H,31,32)
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340n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117693
PNG
(CHEMBL87975 | Thiophene-2-sulfonic acid {2,2-dimet...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C31H33NO5S2/c1-23-9-6-11-27(21-23)37-19-8-18-36-26-16-14-24(15-17-26)28-12-5-4-10-25(28)22-31(2,3)30(33)32-39(34,35)29-13-7-20-38-29/h4-7,9-17,20-21H,8,18-19,22H2,1-3H3,(H,32,33)
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440n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
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480n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117697
PNG
(CHEMBL431612 | Thiophene-2-sulfonic acid [3-(2'-ph...)
Show SMILES O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-15-8-19-34-28)17-16-23-11-4-6-13-25(23)26-14-7-5-12-24(26)21-33-20-18-22-9-2-1-3-10-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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510n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117691
PNG
(CHEMBL86886 | Thiophene-2-sulfonic acid [2-(4'-phe...)
Show SMILES O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C27H25NO3S3/c29-26(28-34(30,31)27-11-6-17-33-27)19-24-9-4-5-10-25(24)23-14-12-22(13-15-23)20-32-18-16-21-7-2-1-3-8-21/h1-15,17H,16,18-20H2,(H,28,29)
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590n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117688
PNG
(CHEMBL313266 | Thiophene-2-sulfonic acid [3-(4'-ph...)
Show SMILES O=S(=O)(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C27H27NO4S4/c29-35(30,28-36(31,32)27-11-6-18-34-27)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18,28H,16-17,19-21H2
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610n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
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690n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117686
PNG
(CHEMBL445895 | Thiophene-2-sulfonic acid [4-(4'-ph...)
Show SMILES O=C(CCCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C29H29NO3S3/c31-28(30-36(32,33)29-14-7-20-35-29)13-6-11-25-10-4-5-12-27(25)26-17-15-24(16-18-26)22-34-21-19-23-8-2-1-3-9-23/h1-5,7-10,12,14-18,20H,6,11,13,19,21-22H2,(H,30,31)
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700n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H,29,30)
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730n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50117681
PNG
(3-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-propi...)
Show SMILES OC(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1
Show InChI InChI=1S/C24H24O2S/c25-24(26)15-14-21-8-4-5-9-23(21)22-12-10-20(11-13-22)18-27-17-16-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,25,26)
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740n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
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770n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound was determined against Prostanoid TP receptor


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50117690
PNG
(CHEMBL86933 | Thiophene-2-sulfonic acid [3-(3'-phe...)
Show SMILES O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-14-7-18-34-28)16-15-24-11-4-5-13-26(24)25-12-6-10-23(20-25)21-33-19-17-22-8-2-1-3-9-22/h1-14,18,20H,15-17,19,21H2,(H,29,30)
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820n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
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830n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound was determined against Prostanoid DP receptor


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117691
PNG
(CHEMBL86886 | Thiophene-2-sulfonic acid [2-(4'-phe...)
Show SMILES O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C27H25NO3S3/c29-26(28-34(30,31)27-11-6-17-33-27)19-24-9-4-5-10-25(24)23-14-12-22(13-15-23)20-32-18-16-21-7-2-1-3-8-21/h1-15,17H,16,18-20H2,(H,28,29)
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850n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117693
PNG
(CHEMBL87975 | Thiophene-2-sulfonic acid {2,2-dimet...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C31H33NO5S2/c1-23-9-6-11-27(21-23)37-19-8-18-36-26-16-14-24(15-17-26)28-12-5-4-10-25(28)22-31(2,3)30(33)32-39(34,35)29-13-7-20-38-29/h4-7,9-17,20-21H,8,18-19,22H2,1-3H3,(H,32,33)
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117690
PNG
(CHEMBL86933 | Thiophene-2-sulfonic acid [3-(3'-phe...)
Show SMILES O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-14-7-18-34-28)16-15-24-11-4-5-13-26(24)25-12-6-10-23(20-25)21-33-19-17-22-8-2-1-3-9-22/h1-14,18,20H,15-17,19,21H2,(H,29,30)
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50403949
PNG
(CHEMBL2112332)
Show SMILES C(Cc1ccccc1)SCc1ccc(cc1)-c1ccccc1CCc1nnn[nH]1
Show InChI InChI=1S/C24H24N4S/c1-2-6-19(7-3-1)16-17-29-18-20-10-12-22(13-11-20)23-9-5-4-8-21(23)14-15-24-25-27-28-26-24/h1-13H,14-18H2,(H,25,26,27,28)
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117687
PNG
(CHEMBL314200 | Thiophene-2-sulfonic acid {2-methyl...)
Show SMILES CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C30H31NO5S2/c1-22-8-5-10-27(20-22)36-18-7-17-35-26-15-13-24(14-16-26)28-11-4-3-9-25(28)21-23(2)30(32)31-38(33,34)29-12-6-19-37-29/h3-6,8-16,19-20,23H,7,17-18,21H2,1-2H3,(H,31,32)
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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
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117699
PNG
(CHEMBL83518 | Thiophene-2-sulfonic acid [3-(4'-phe...)
Show SMILES O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-11-6-19-34-28)17-16-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-20-18-22-7-2-1-3-8-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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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
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117688
PNG
(CHEMBL313266 | Thiophene-2-sulfonic acid [3-(4'-ph...)
Show SMILES O=S(=O)(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C27H27NO4S4/c29-35(30,28-36(31,32)27-11-6-18-34-27)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18,28H,16-17,19-21H2
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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
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117697
PNG
(CHEMBL431612 | Thiophene-2-sulfonic acid [3-(2'-ph...)
Show SMILES O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-15-8-19-34-28)17-16-23-11-4-6-13-25(23)26-14-7-5-12-24(26)21-33-20-18-22-9-2-1-3-10-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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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
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117695
PNG
(CHEMBL87263 | Thiophene-2-sulfonic acid {3-[4'-(3-...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29NO5S2/c1-22-7-4-9-26(21-22)35-19-6-18-34-25-15-12-24(13-16-25)27-10-3-2-8-23(27)14-17-28(31)30-37(32,33)29-11-5-20-36-29/h2-5,7-13,15-16,20-21H,6,14,17-19H2,1H3,(H,30,31)
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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
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50117699
PNG
(CHEMBL83518 | Thiophene-2-sulfonic acid [3-(4'-phe...)
Show SMILES O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-11-6-19-34-28)17-16-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-20-18-22-7-2-1-3-8-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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1.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50117693
PNG
(CHEMBL87975 | Thiophene-2-sulfonic acid {2,2-dimet...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C31H33NO5S2/c1-23-9-6-11-27(21-23)37-19-8-18-36-26-16-14-24(15-17-26)28-12-5-4-10-25(28)22-31(2,3)30(33)32-39(34,35)29-13-7-20-38-29/h4-7,9-17,20-21H,8,18-19,22H2,1-3H3,(H,32,33)
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1.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117686
PNG
(CHEMBL445895 | Thiophene-2-sulfonic acid [4-(4'-ph...)
Show SMILES O=C(CCCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C29H29NO3S3/c31-28(30-36(32,33)29-14-7-20-35-29)13-6-11-25-10-4-5-12-27(25)26-17-15-24(16-18-26)22-34-21-19-23-8-2-1-3-9-23/h1-5,7-10,12,14-18,20H,6,11,13,19,21-22H2,(H,30,31)
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1.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117690
PNG
(CHEMBL86933 | Thiophene-2-sulfonic acid [3-(3'-phe...)
Show SMILES O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-14-7-18-34-28)16-15-24-11-4-5-13-26(24)25-12-6-10-23(20-25)21-33-19-17-22-8-2-1-3-9-22/h1-14,18,20H,15-17,19,21H2,(H,29,30)
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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
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H,29,30)
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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
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
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2.50E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50403949
PNG
(CHEMBL2112332)
Show SMILES C(Cc1ccccc1)SCc1ccc(cc1)-c1ccccc1CCc1nnn[nH]1
Show InChI InChI=1S/C24H24N4S/c1-2-6-19(7-3-1)16-17-29-18-20-10-12-22(13-11-20)23-9-5-4-8-21(23)14-15-24-25-27-28-26-24/h1-13H,14-18H2,(H,25,26,27,28)
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2.60E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117699
PNG
(CHEMBL83518 | Thiophene-2-sulfonic acid [3-(4'-phe...)
Show SMILES O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-11-6-19-34-28)17-16-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-20-18-22-7-2-1-3-8-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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2.70E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H,29,30)
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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
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
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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
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117687
PNG
(CHEMBL314200 | Thiophene-2-sulfonic acid {2-methyl...)
Show SMILES CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C30H31NO5S2/c1-22-8-5-10-27(20-22)36-18-7-17-35-26-15-13-24(14-16-26)28-11-4-3-9-25(28)21-23(2)30(32)31-38(33,34)29-12-6-19-37-29/h3-6,8-16,19-20,23H,7,17-18,21H2,1-2H3,(H,31,32)
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2.90E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117698
PNG
(CHEMBL87797 | N-({[(4'-(3-[3-methylphenyl]-propoxy...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CNC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H28N2O5S2/c1-21-7-4-9-25(19-21)35-17-6-16-34-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-29-28(31)30-37(32,33)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H2,29,30,31)
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2.90E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
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