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Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'o''connell' and Initial = 'm'   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126118
PNG
(CHEMBL3627747)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1/C28H25IN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/s2
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360n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126117
PNG
(CHEMBL3627746)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1/C28H25BrN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/s2
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690n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126119
PNG
(CHEMBL3627748)
Show SMILES COc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1/C29H28N4O5/c1-37-20-14-12-19(13-15-20)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)38-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/s2
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710n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126112
PNG
(CHEMBL3627750)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+/s2
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1.82E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126114
PNG
(CHEMBL3627743)
Show SMILES Cc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1/C29H28N4O4/c1-19-12-14-20(15-13-19)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)37-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/s2
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3.05E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126115
PNG
(CHEMBL3627744)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1/C29H25F3N4O4/c30-29(31,32)19-13-11-18(12-14-19)26-16-36(35-34-26)15-5-10-25(27(37)38)33-28(39)40-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,33,39)(H,37,38)/t25-/s2
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6.96E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126113
PNG
(CHEMBL3627749)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r|
Show InChI InChI=1/C33H35N5O6/c1-33(2,3)44-32(42)34-22-16-14-21(15-17-22)29-19-38(37-36-29)18-8-13-28(30(39)40)35-31(41)43-20-27-25-11-6-4-9-23(25)24-10-5-7-12-26(24)27/h4-7,9-12,14-17,19,27-28H,8,13,18,20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)/t28-/s2
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7.22E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315482
PNG
(CHEMBL1093897 | N-(3-chlorophenylsulfonyl)-3-(3,3-...)
Show SMILES FC1(F)C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C28H19ClF2N2O4S/c29-22-8-4-9-23(16-22)38(36,37)32-25(34)14-13-20-7-3-10-24-26(20)33(27(35)28(24,30)31)17-18-11-12-19-5-1-2-6-21(19)15-18/h1-16H,17H2,(H,32,34)/b14-13+
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n/an/a 0.100n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315474
PNG
(CHEMBL1089095 | N-(3-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES FC1(F)C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H15Cl3F2N2O4S/c25-16-4-2-5-18(11-16)36(34,35)30-21(32)10-8-14-3-1-6-19-22(14)31(23(33)24(19,28)29)13-15-7-9-17(26)12-20(15)27/h1-12H,13H2,(H,30,32)/b10-8+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315473
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES FC1(F)C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H14Cl4F2N2O4S/c25-15-6-4-14(19(27)10-15)12-32-22-13(2-1-3-17(22)24(29,30)23(32)34)5-9-21(33)31-37(35,36)16-7-8-18(26)20(28)11-16/h1-11H,12H2,(H,31,33)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315472
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H14Cl2F4N2O4S/c25-15-6-4-14(18(26)10-15)12-32-22-13(2-1-3-17(22)24(29,30)23(32)34)5-9-21(33)31-37(35,36)16-7-8-19(27)20(28)11-16/h1-11H,12H2,(H,31,33)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315471
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H13Cl2F5N2O4S/c25-14-6-4-13(16(26)8-14)11-33-22-12(2-1-3-15(22)24(30,31)23(33)35)5-7-21(34)32-38(36,37)20-10-18(28)17(27)9-19(20)29/h1-10H,11H2,(H,32,34)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315493
PNG
(3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(2,...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C24H15Cl2F3N2O4S/c25-16-6-4-15(17(26)9-16)12-31-23(33)8-14-3-1-2-13(24(14)31)5-7-22(32)30-36(34,35)21-11-19(28)18(27)10-20(21)29/h1-7,9-11H,8,12H2,(H,30,32)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315476
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H15Cl2F3N2O4S/c25-16-6-4-15(20(26)12-16)13-31-22-14(2-1-3-19(22)24(28,29)23(31)33)5-11-21(32)30-36(34,35)18-9-7-17(27)8-10-18/h1-12H,13H2,(H,30,32)/b11-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315480
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H18F4N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315528
PNG
(3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C29H21F3N2O4S/c1-17-22-8-4-7-20(11-12-27(35)33-39(37,38)26-15-24(31)23(30)14-25(26)32)28(22)34(29(17)36)16-18-9-10-19-5-2-3-6-21(19)13-18/h2-15,17H,16H2,1H3,(H,33,35)/b12-11+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315481
PNG
(CHEMBL1090222 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES FC1(F)C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H18Cl2F2N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315498
PNG
(3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H19F3N2O4S/c29-22-14-24(31)25(15-23(22)30)38(36,37)32-26(34)11-10-19-6-3-7-21-13-27(35)33(28(19)21)16-17-8-9-18-4-1-2-5-20(18)12-17/h1-12,14-15H,13,16H2,(H,32,34)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315479
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H17F5N2O4S/c29-21-13-23(31)24(14-22(21)30)40(38,39)34-25(36)11-10-18-6-3-7-20-26(18)35(27(37)28(20,32)33)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14H,15H2,(H,34,36)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315503
PNG
(CHEMBL1092871 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c23)cc1F
Show InChI InChI=1S/C24H16Cl2F2N2O4S/c25-18-7-6-17(12-19(18)26)35(33,34)29-22(31)9-5-15-2-1-3-16-11-23(32)30(24(15)16)13-14-4-8-20(27)21(28)10-14/h1-10,12H,11,13H2,(H,29,31)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315529
PNG
(CHEMBL1089454 | N-(3-chlorophenylsulfonyl)-3-(3-me...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClN2O4S/c1-19-26-11-4-8-22(14-15-27(33)31-37(35,36)25-10-5-9-24(30)17-25)28(26)32(29(19)34)18-20-12-13-21-6-2-3-7-23(21)16-20/h2-17,19H,18H2,1H3,(H,31,33)/b15-14+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315521
PNG
(3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H18Cl2F2N2O4S/c1-14-19-4-2-3-15(24(19)31(25(14)33)13-16-5-7-17(26)11-20(16)27)6-10-23(32)30-36(34,35)18-8-9-21(28)22(29)12-18/h2-12,14H,13H2,1H3,(H,30,32)/b10-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315506
PNG
(CHEMBL1091146 | N-(4,5-dichlorothiophen-2-ylsulfon...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1F
Show InChI InChI=1S/C22H14Cl2F2N2O4S2/c23-15-10-20(33-22(15)24)34(31,32)27-18(29)7-5-13-2-1-3-14-9-19(30)28(21(13)14)11-12-4-6-16(25)17(26)8-12/h1-8,10H,9,11H2,(H,27,29)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315504
PNG
(CHEMBL1088848 | N-(3-chlorophenylsulfonyl)-3-(1-(3...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cccc(Cl)c4)c23)cc1F
Show InChI InChI=1S/C24H17ClF2N2O4S/c25-18-5-2-6-19(13-18)34(32,33)28-22(30)10-8-16-3-1-4-17-12-23(31)29(24(16)17)14-15-7-9-20(26)21(27)11-15/h1-11,13H,12,14H2,(H,28,30)/b10-8+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315499
PNG
(CHEMBL1088822 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H20F2N2O4S/c29-24-12-11-23(16-25(24)30)37(35,36)31-26(33)13-10-20-6-3-7-22-15-27(34)32(28(20)22)17-18-8-9-19-4-1-2-5-21(19)14-18/h1-14,16H,15,17H2,(H,31,33)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315523
PNG
(CHEMBL1089161 | N-(3-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H19Cl3N2O4S/c1-15-21-7-2-4-16(9-11-23(31)29-35(33,34)20-6-3-5-18(26)12-20)24(21)30(25(15)32)14-17-8-10-19(27)13-22(17)28/h2-13,15H,14H2,1H3,(H,29,31)/b11-9+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315524
PNG
(3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C25H17Cl2F3N2O4S/c1-13-17-4-2-3-14(24(17)32(25(13)34)12-15-5-7-16(26)9-18(15)27)6-8-23(33)31-37(35,36)22-11-20(29)19(28)10-21(22)30/h2-11,13H,12H2,1H3,(H,31,33)/b8-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315500
PNG
(CHEMBL1088823 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H20Cl2N2O4S/c29-24-12-11-23(16-25(24)30)37(35,36)31-26(33)13-10-20-6-3-7-22-15-27(34)32(28(20)22)17-18-8-9-19-4-1-2-5-21(19)14-18/h1-14,16H,15,17H2,(H,31,33)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315492
PNG
(CHEMBL1092230 | N-(3-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES Clc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cccc(Cl)c4)c23)c(Cl)c1
Show InChI InChI=1S/C24H17Cl3N2O4S/c25-18-5-2-6-20(12-18)34(32,33)28-22(30)10-8-15-3-1-4-16-11-23(31)29(24(15)16)14-17-7-9-19(26)13-21(17)27/h1-10,12-13H,11,14H2,(H,28,30)/b10-8+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315530
PNG
(CHEMBL1089455 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H22Cl2N2O4S/c1-18-24-8-4-7-21(11-14-27(34)32-38(36,37)23-12-13-25(30)26(31)16-23)28(24)33(29(18)35)17-19-9-10-20-5-2-3-6-22(20)15-19/h2-16,18H,17H2,1H3,(H,32,34)/b14-11+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315518
PNG
(3-(1-(naphthalen-2-ylmethyl)-2,3-dioxoindolin-7-yl...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2C(=O)C(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H17F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14H,15H2,(H,32,34)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315501
PNG
(CHEMBL1088846 | N-(3-chlorophenylsulfonyl)-3-(1-(n...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H21ClN2O4S/c29-24-9-4-10-25(17-24)36(34,35)30-26(32)14-13-21-7-3-8-23-16-27(33)31(28(21)23)18-19-11-12-20-5-1-2-6-22(20)15-19/h1-15,17H,16,18H2,(H,30,32)/b14-13+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315527
PNG
(CHEMBL1090459 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H22F2N2O4S/c1-18-24-8-4-7-21(11-14-27(34)32-38(36,37)23-12-13-25(30)26(31)16-23)28(24)33(29(18)35)17-19-9-10-20-5-2-3-6-22(20)15-19/h2-16,18H,17H2,1H3,(H,32,34)/b14-11+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315494
PNG
(3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(3,...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C24H16Cl2F2N2O4S/c25-17-6-4-16(19(26)11-17)13-30-23(32)10-15-3-1-2-14(24(15)30)5-9-22(31)29-35(33,34)18-7-8-20(27)21(28)12-18/h1-9,11-12H,10,13H2,(H,29,31)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315505
PNG
(3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)-N-(2,...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cc(F)c(F)cc4F)c23)cc1F
Show InChI InChI=1S/C24H15F5N2O4S/c25-16-6-4-13(8-17(16)26)12-31-23(33)9-15-3-1-2-14(24(15)31)5-7-22(32)30-36(34,35)21-11-19(28)18(27)10-20(21)29/h1-8,10-11H,9,12H2,(H,30,32)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315522
PNG
(3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-...)
Show SMILES CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H18Cl4N2O4S/c1-14-19-4-2-3-15(24(19)31(25(14)33)13-16-5-7-17(26)11-21(16)28)6-10-23(32)30-36(34,35)18-8-9-20(27)22(29)12-18/h2-12,14H,13H2,1H3,(H,30,32)/b10-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315531
PNG
(CHEMBL1093124 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES CC1C(=O)N(Cc2ccc(F)c(F)c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H18Cl2F2N2O4S/c1-14-18-4-2-3-16(24(18)31(25(14)33)13-15-5-9-21(28)22(29)11-15)6-10-23(32)30-36(34,35)17-7-8-19(26)20(27)12-17/h2-12,14H,13H2,1H3,(H,30,32)/b10-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315502
PNG
(3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)-N-(3,...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)c23)cc1F
Show InChI InChI=1S/C24H16F4N2O4S/c25-18-7-4-14(10-20(18)27)13-30-23(32)11-16-3-1-2-15(24(16)30)5-9-22(31)29-35(33,34)17-6-8-19(26)21(28)12-17/h1-10,12H,11,13H2,(H,29,31)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315517
PNG
(CHEMBL1093133 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)NC(=O)\C=C\c1cccc2C(=O)C(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H18Cl2N2O5S/c29-23-12-11-21(15-24(23)30)38(36,37)31-25(33)13-10-19-6-3-7-22-26(19)32(28(35)27(22)34)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,31,33)/b13-10+
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n/an/a 1n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315475
PNG
(CHEMBL1091606 | N-(4-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES FC1(F)C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H15Cl3F2N2O4S/c25-16-7-9-18(10-8-16)36(34,35)30-21(32)11-5-14-2-1-3-19-22(14)31(23(33)24(19,28)29)13-15-4-6-17(26)12-20(15)27/h1-12H,13H2,(H,30,32)/b11-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315495
PNG
(3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(3,...)
Show SMILES Clc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c23)c(Cl)c1
Show InChI InChI=1S/C24H16Cl4N2O4S/c25-17-6-4-16(20(27)11-17)13-30-23(32)10-15-3-1-2-14(24(15)30)5-9-22(31)29-35(33,34)18-7-8-19(26)21(28)12-18/h1-9,11-12H,10,13H2,(H,29,31)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315487
PNG
(3-(1-(3,4-difluorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1ccc(CN2C(=O)C(F)(F)c3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)c23)cc1F
Show InChI InChI=1S/C24H14F6N2O4S/c25-17-7-4-13(10-19(17)27)12-32-22-14(2-1-3-16(22)24(29,30)23(32)34)5-9-21(33)31-37(35,36)15-6-8-18(26)20(28)11-15/h1-11H,12H2,(H,31,33)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315488
PNG
(CHEMBL1091622 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(CN2C(=O)C(F)(F)c3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c23)cc1F
Show InChI InChI=1S/C24H14Cl2F4N2O4S/c25-17-7-6-15(11-18(17)26)37(35,36)31-21(33)9-5-14-2-1-3-16-22(14)32(23(34)24(16,29)30)12-13-4-8-19(27)20(28)10-13/h1-11H,12H2,(H,31,33)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315496
PNG
(CHEMBL1088785 | N-(4,5-dichlorothiophen-2-ylsulfon...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C26H18Cl2N2O4S2/c27-21-14-24(35-26(21)28)36(33,34)29-22(31)11-10-18-6-3-7-20-13-23(32)30(25(18)20)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-12,14H,13,15H2,(H,29,31)/b11-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315532
PNG
(3-(1-(3,4-difluorobenzyl)-3-methyl-2-oxoindolin-7-...)
Show SMILES CC1C(=O)N(Cc2ccc(F)c(F)c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C25H17F5N2O4S/c1-13-16-4-2-3-15(24(16)32(25(13)34)12-14-5-7-17(26)18(27)9-14)6-8-23(33)31-37(35,36)22-11-20(29)19(28)10-21(22)30/h2-11,13H,12H2,1H3,(H,31,33)/b8-6+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315468
PNG
(CHEMBL1093792 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H20F2N2O5S/c29-23-12-11-21(15-24(23)30)38(36,37)31-25(33)13-10-19-6-3-7-22-26(19)32(28(35)27(22)34)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15,27,34H,16H2,(H,31,33)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315516
PNG
(CHEMBL1090455 | N-(4-fluorophenylsulfonyl)-3-(1-(n...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)\C=C\c1cccc2C(=O)C(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H19FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16H,17H2,(H,30,32)/b15-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50255778
PNG
(3-(1-(2,3-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4...)
Show SMILES CC12CC(=O)N(Cc3cccc(Cl)c3Cl)C1=C(CCC2)\C=C\C(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1 |c:17|
Show InChI InChI=1S/C23H20Cl4N2O4S2/c1-23-9-3-5-13(7-8-17(30)28-35(32,33)19-10-16(25)22(27)34-19)21(23)29(18(31)11-23)12-14-4-2-6-15(24)20(14)26/h2,4,6-8,10H,3,5,9,11-12H2,1H3,(H,28,30)/b8-7+
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deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO-K1 cells assessed as reversal of inhibition of forskolin-induced cAMP production


Bioorg Med Chem Lett 19: 778-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.027
BindingDB Entry DOI: 10.7270/Q24M94DH
More data for this
Ligand-Target Pair
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