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Compile Data Set for Download or QSAR

Found 1067 hits with Last Name = 'kai' and Initial = 'y'   
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 EP4 subtype


(Mus musculus (Mouse))
BDBM50366138
PNG
(CHEMBL1957437)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C30H28N2O4S2/c33-26(17-20-4-3-7-22(16-20)24-9-8-21-5-1-2-6-23(21)18-24)12-10-25-11-13-28(34)32(25)14-15-37-30-31-27(19-38-30)29(35)36/h1-10,12,16,18-19,25-26,33H,11,13-15,17H2,(H,35,36)/b12-10+/t25-,26+/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 2235-51 (2012)


Article DOI: 10.1016/j.bmc.2012.02.018
BindingDB Entry DOI: 10.7270/Q2542P2G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50366138
PNG
(CHEMBL1957437)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C30H28N2O4S2/c33-26(17-20-4-3-7-22(16-20)24-9-8-21-5-1-2-6-23(21)18-24)12-10-25-11-13-28(34)32(25)14-15-37-30-31-27(19-38-30)29(35)36/h1-10,12,16,18-19,25-26,33H,11,13-15,17H2,(H,35,36)/b12-10+/t25-,26+/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315980
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-...)
Show SMILES O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C32H28N4O4S/c33-22-25-5-3-8-30(20-25)41(38,39)35-32(37)14-13-28-12-10-26(23-36-17-4-16-34-36)21-31(28)40-18-15-24-9-11-27-6-1-2-7-29(27)19-24/h1-12,16-17,19-21H,13-15,18,23H2,(H,35,37)
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0.0650n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315979
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H27F2N3O4S/c32-28-12-11-27(20-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)
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0.0860n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50218398
PNG
(CHEMBL1907861)
Show SMILES [H][C@@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25|
Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307436
PNG
(3-[4-[(2-Chlorophenoxy)methyl]-2-({[1-(3,5-dimethy...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2Cl)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34ClNO4/c1-19(2)13-27(24-15-20(3)14-21(4)16-24)32-30(35)25-17-22(9-10-23(25)11-12-29(33)34)18-36-28-8-6-5-7-26(28)31/h5-10,14-17,19,27H,11-13,18H2,1-4H3,(H,32,35)(H,33,34)
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0.0900n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307408
PNG
(3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[1-(3,5-dim...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)
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0.100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307434
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34FNO4/c1-19(2)13-27(24-15-20(3)14-21(4)16-24)32-30(35)25-17-22(9-10-23(25)11-12-29(33)34)18-36-28-8-6-5-7-26(28)31/h5-10,14-17,19,27H,11-13,18H2,1-4H3,(H,32,35)(H,33,34)
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0.100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385124
PNG
(CHEMBL2036314)
Show SMILES O[C@@H](Cc1cccc(c1)-c1cc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r|
Show InChI InChI=1S/C28H31NO5S/c30-24(12-10-23-11-13-27(31)29(23)14-16-35-15-4-9-28(32)33)18-20-5-3-7-21(17-20)26-19-22-6-1-2-8-25(22)34-26/h1-3,5-8,10,12,17,19,23-24,30H,4,9,11,13-16,18H2,(H,32,33)/b12-10+/t23-,24+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307441
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(C)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H37NO4/c1-20(2)13-29(26-15-22(4)14-23(5)16-26)32-31(35)28-18-24(9-10-25(28)11-12-30(33)34)19-36-27-8-6-7-21(3)17-27/h6-10,14-18,20,29H,11-13,19H2,1-5H3,(H,32,35)(H,33,34)
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0.110n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385131
PNG
(CHEMBL2036322)
Show SMILES O[C@@H](Cc1cccc(c1)-c1cc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C28H26N2O5S2/c31-22(15-18-4-3-6-19(14-18)25-16-20-5-1-2-7-24(20)35-25)10-8-21-9-11-26(32)30(21)12-13-36-28-29-23(17-37-28)27(33)34/h1-8,10,14,16-17,21-22,31H,9,11-13,15H2,(H,33,34)/b10-8+/t21-,22+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307406
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(3,5-dimethyl...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H34N2O4/c1-20(2)12-29(26-14-21(3)13-22(4)15-26)33-31(36)28-17-24(8-9-25(28)10-11-30(34)35)19-37-27-7-5-6-23(16-27)18-32/h5-9,13-17,20,29H,10-12,19H2,1-4H3,(H,33,36)(H,34,35)
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0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385132
PNG
(CHEMBL2036323)
Show SMILES O[C@@H](Cc1cccc(c1)-c1nc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C27H25N3O5S2/c31-20(15-17-4-3-5-18(14-17)25-28-21-6-1-2-7-23(21)35-25)10-8-19-9-11-24(32)30(19)12-13-36-27-29-22(16-37-27)26(33)34/h1-8,10,14,16,19-20,31H,9,11-13,15H2,(H,33,34)/b10-8+/t19-,20+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315985
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(methyl(phenyl...)
Show SMILES CN(CCOc1cc(Cn2cccn2)ccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C28H28F2N4O4S/c1-33(23-6-3-2-4-7-23)16-17-38-27-18-21(20-34-15-5-14-31-34)8-9-22(27)10-13-28(35)32-39(36,37)24-11-12-25(29)26(30)19-24/h2-9,11-12,14-15,18-19H,10,13,16-17,20H2,1H3,(H,32,35)
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0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307414
PNG
(3-[2-({[1-(3-Methoxyphenyl)-3-methylbutyl]amino}ca...)
Show SMILES COc1cccc(c1)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C29H33NO5/c1-20(2)16-27(23-8-7-11-25(18-23)34-3)30-29(33)26-17-21(12-13-22(26)14-15-28(31)32)19-35-24-9-5-4-6-10-24/h4-13,17-18,20,27H,14-16,19H2,1-3H3,(H,30,33)(H,31,32)
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0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315981
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(naphthalen-1-ylm...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1ONCc1cccc2ccccc12
Show InChI InChI=1S/C30H26F2N4O4S/c31-27-13-12-25(18-28(27)32)41(38,39)35-30(37)14-11-23-10-9-21(20-36-16-4-15-33-36)17-29(23)40-34-19-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-18,34H,11,14,19-20H2,(H,35,37)
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0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307445
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(3-methoxyphe...)
Show SMILES COc1cccc(c1)C(CC(C)C)NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O
Show InChI InChI=1S/C30H32N2O5/c1-20(2)14-28(24-7-5-8-25(17-24)36-3)32-30(35)27-16-22(10-11-23(27)12-13-29(33)34)19-37-26-9-4-6-21(15-26)18-31/h4-11,15-17,20,28H,12-14,19H2,1-3H3,(H,32,35)(H,33,34)
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0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307405
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(F)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34FNO4/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)32-30(35)27-16-22(8-9-23(27)10-11-29(33)34)18-36-26-7-5-6-25(31)17-26/h5-9,13-17,19,28H,10-12,18H2,1-4H3,(H,32,35)(H,33,34)
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0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50218392
PNG
(CHEMBL79277)
Show SMILES Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24|
Show InChI InChI=1S/C23H31FN2O/c24-21-4-2-1-3-19(21)5-7-26-8-6-20(15-26)25-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20H,5-15H2,(H,25,27)
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0.140n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307428
PNG
(3-[2-({[1-(3-Fluoro-4-methoxyphenyl)-3-methylbutyl...)
Show SMILES COc1ccc(cc1F)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C29H32FNO5/c1-19(2)15-26(22-11-13-27(35-3)25(30)17-22)31-29(34)24-16-20(9-10-21(24)12-14-28(32)33)18-36-23-7-5-4-6-8-23/h4-11,13,16-17,19,26H,12,14-15,18H2,1-3H3,(H,31,34)(H,32,33)
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0.140n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307449
PNG
(3-[4-[(2,3-Difluorophenoxy)methyl]-2-({[1-(3,5-dim...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(F)c2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H33F2NO4/c1-18(2)12-26(23-14-19(3)13-20(4)15-23)33-30(36)24-16-21(8-9-22(24)10-11-28(34)35)17-37-27-7-5-6-25(31)29(27)32/h5-9,13-16,18,26H,10-12,17H2,1-4H3,(H,33,36)(H,34,35)
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0.150n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385138
PNG
(CHEMBL2037291)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1 |r|
Show InChI InChI=1S/C29H29N3O5S2/c1-17-12-18(2)26-23(13-17)30-27(37-26)20-5-3-4-19(14-20)15-22(33)8-6-21-7-9-25(34)32(21)10-11-38-29-31-24(16-39-29)28(35)36/h3-6,8,12-14,16,21-22,33H,7,9-11,15H2,1-2H3,(H,35,36)/b8-6+/t21-,22+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307424
PNG
(3-[2-({[1-(4-Methoxy-3-methylphenyl)-3-methylbutyl...)
Show SMILES COc1ccc(cc1C)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C30H35NO5/c1-20(2)16-27(24-12-14-28(35-4)21(3)17-24)31-30(34)26-18-22(10-11-23(26)13-15-29(32)33)19-36-25-8-6-5-7-9-25/h5-12,14,17-18,20,27H,13,15-16,19H2,1-4H3,(H,31,34)(H,32,33)
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0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315967
PNG
(CHEMBL1092432 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccnc2)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H28F2N2O5S/c34-30-13-12-29(20-31(30)35)43(39,40)37-33(38)14-11-26-10-8-24(22-42-28-6-3-16-36-21-28)19-32(26)41-17-15-23-7-9-25-4-1-2-5-27(25)18-23/h1-10,12-13,16,18-21H,11,14-15,17,22H2,(H,37,38)
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0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307403
PNG
(3-[2-({[1-(4-Fluoro-3-methylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C29H32FNO4/c1-19(2)15-27(23-11-13-26(30)20(3)16-23)31-29(34)25-17-21(9-10-22(25)12-14-28(32)33)18-35-24-7-5-4-6-8-24/h4-11,13,16-17,19,27H,12,14-15,18H2,1-3H3,(H,31,34)(H,32,33)
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0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385136
PNG
(CHEMBL2037289)
Show SMILES Cc1ccc2nc(oc2c1)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1 |r|
Show InChI InChI=1S/C28H27N3O5S2/c1-17-5-9-22-24(13-17)36-26(29-22)19-4-2-3-18(14-19)15-21(32)8-6-20-7-10-25(33)31(20)11-12-37-28-30-23(16-38-28)27(34)35/h2-6,8-9,13-14,16,20-21,32H,7,10-12,15H2,1H3,(H,34,35)/b8-6+/t20-,21+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307446
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(4-fluorophen...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H29FN2O4/c1-19(2)14-27(23-8-11-24(30)12-9-23)32-29(35)26-16-21(6-7-22(26)10-13-28(33)34)18-36-25-5-3-4-20(15-25)17-31/h3-9,11-12,15-16,19,27H,10,13-14,18H2,1-2H3,(H,32,35)(H,33,34)
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0.170n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307407
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2C)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H37NO4/c1-20(2)14-28(26-16-21(3)15-22(4)17-26)32-31(35)27-18-24(10-11-25(27)12-13-30(33)34)19-36-29-9-7-6-8-23(29)5/h6-11,15-18,20,28H,12-14,19H2,1-5H3,(H,32,35)(H,33,34)
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0.170n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50218388
PNG
(CHEMBL78986)
Show SMILES O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23|
Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307423
PNG
(3-[2-({[1-(3,4-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C30H35NO4/c1-20(2)16-28(25-12-10-21(3)22(4)17-25)31-30(34)27-18-23(11-13-24(27)14-15-29(32)33)19-35-26-8-6-5-7-9-26/h5-13,17-18,20,28H,14-16,19H2,1-4H3,(H,31,34)(H,32,33)
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0.170n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307419
PNG
(3-[2-({[1-(3-Chlorophenyl)-3-methylbutyl]amino}car...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C28H30ClNO4/c1-19(2)15-26(22-7-6-8-23(29)17-22)30-28(33)25-16-20(11-12-21(25)13-14-27(31)32)18-34-24-9-4-3-5-10-24/h3-12,16-17,19,26H,13-15,18H2,1-2H3,(H,30,33)(H,31,32)
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0.180n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385133
PNG
(CHEMBL2036324)
Show SMILES O[C@@H](Cc1cccc(c1)-c1nc2ccccc2s1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C27H25N3O4S3/c31-20(15-17-4-3-5-18(14-17)25-28-21-6-1-2-7-23(21)37-25)10-8-19-9-11-24(32)30(19)12-13-35-27-29-22(16-36-27)26(33)34/h1-8,10,14,16,19-20,31H,9,11-13,15H2,(H,33,34)/b10-8+/t19-,20+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50218397
PNG
(CHEMBL83611)
Show SMILES O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24|
Show InChI InChI=1S/C24H34N2O/c27-23(24-14-19-11-20(15-24)13-21(12-19)16-24)25-22-8-10-26(17-22)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,27)
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0.190n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307453
PNG
(3-[4-[(3,5-Difluorophenoxy)methyl]-2-({[1-(3,5-dim...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cc(F)cc(F)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H33F2NO4/c1-18(2)9-28(23-11-19(3)10-20(4)12-23)33-30(36)27-13-21(5-6-22(27)7-8-29(34)35)17-37-26-15-24(31)14-25(32)16-26/h5-6,10-16,18,28H,7-9,17H2,1-4H3,(H,33,36)(H,34,35)
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0.190n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307450
PNG
(3-[4-[(2,4-Difluorophenoxy)methyl]-2-({[1-(3,5-dim...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccc(F)cc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-9-8-24(31)16-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)
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0.190n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307404
PNG
(3-[2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)
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0.190n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385122
PNG
(CHEMBL2036312)
Show SMILES O[C@@H](Cc1cccc(c1)-c1nc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r|
Show InChI InChI=1S/C27H30N2O5S/c30-22(12-10-21-11-13-25(31)29(21)14-16-35-15-4-9-26(32)33)18-19-5-3-6-20(17-19)27-28-23-7-1-2-8-24(23)34-27/h1-3,5-8,10,12,17,21-22,30H,4,9,11,13-16,18H2,(H,32,33)/b12-10+/t21-,22+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385139
PNG
(CHEMBL2037292)
Show SMILES O[C@@H](Cc1cccc(c1)-c1nc2cc(Cl)ccc2o1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C27H24ClN3O5S2/c28-18-4-8-23-21(14-18)29-25(36-23)17-3-1-2-16(12-17)13-20(32)7-5-19-6-9-24(33)31(19)10-11-37-27-30-22(15-38-27)26(34)35/h1-5,7-8,12,14-15,19-20,32H,6,9-11,13H2,(H,34,35)/b7-5+/t19-,20+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307417
PNG
(3-[2-({[1-(3-Fluorophenyl)-3-methylbutyl]amino}car...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C28H30FNO4/c1-19(2)15-26(22-7-6-8-23(29)17-22)30-28(33)25-16-20(11-12-21(25)13-14-27(31)32)18-34-24-9-4-3-5-10-24/h3-12,16-17,19,26H,13-15,18H2,1-2H3,(H,30,33)(H,31,32)
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0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315982
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-phenethoxyphenyl)...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccccc1
Show InChI InChI=1S/C27H25F2N3O4S/c28-24-11-10-23(18-25(24)29)37(34,35)31-27(33)12-9-22-8-7-21(19-32-15-4-14-30-32)17-26(22)36-16-13-20-5-2-1-3-6-20/h1-8,10-11,14-15,17-18H,9,12-13,16,19H2,(H,31,33)
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0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307444
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[3-methyl-1-(3-m...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1cccc(C)c1
Show InChI InChI=1S/C30H32N2O4/c1-20(2)14-28(25-8-4-6-21(3)15-25)32-30(35)27-17-23(10-11-24(27)12-13-29(33)34)19-36-26-9-5-7-22(16-26)18-31/h4-11,15-17,20,28H,12-14,19H2,1-3H3,(H,32,35)(H,33,34)
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0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307447
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(4-fluoro-3-m...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C30H31FN2O4/c1-19(2)13-28(24-9-11-27(31)20(3)14-24)33-30(36)26-16-22(7-8-23(26)10-12-29(34)35)18-37-25-6-4-5-21(15-25)17-32/h4-9,11,14-16,19,28H,10,12-13,18H2,1-3H3,(H,33,36)(H,34,35)
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0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307427
PNG
(3-[2-({[1-(3-Fluoro-4-methylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(C)c(F)c1
Show InChI InChI=1S/C29H32FNO4/c1-19(2)15-27(23-11-9-20(3)26(30)17-23)31-29(34)25-16-21(10-12-22(25)13-14-28(32)33)18-35-24-7-5-4-6-8-24/h4-12,16-17,19,27H,13-15,18H2,1-3H3,(H,31,34)(H,32,33)
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0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385135
PNG
(CHEMBL2036326)
Show SMILES Cc1ccc2oc(nc2c1)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1 |r|
Show InChI InChI=1S/C28H27N3O5S2/c1-17-5-9-24-22(13-17)29-26(36-24)19-4-2-3-18(14-19)15-21(32)8-6-20-7-10-25(33)31(20)11-12-37-28-30-23(16-38-28)27(34)35/h2-6,8-9,13-14,16,20-21,32H,7,10-12,15H2,1H3,(H,34,35)/b8-6+/t20-,21+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307437
PNG
(3-[4-[(3-Chlorophenoxy)methyl]-2-({[1-(3,5-dimethy...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(Cl)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34ClNO4/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)32-30(35)27-16-22(8-9-23(27)10-11-29(33)34)18-36-26-7-5-6-25(31)17-26/h5-9,13-17,19,28H,10-12,18H2,1-4H3,(H,32,35)(H,33,34)
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0.210n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385137
PNG
(CHEMBL2037290)
Show SMILES Cc1cccc2oc(nc12)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1 |r|
Show InChI InChI=1S/C28H27N3O5S2/c1-17-4-2-7-23-25(17)30-26(36-23)19-6-3-5-18(14-19)15-21(32)10-8-20-9-11-24(33)31(20)12-13-37-28-29-22(16-38-28)27(34)35/h2-8,10,14,16,20-21,32H,9,11-13,15H2,1H3,(H,34,35)/b10-8+/t20-,21+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315978
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-...)
Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H27ClFN3O4S/c32-28-20-27(11-12-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)
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0.220n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50218396
PNG
(CHEMBL315259)
Show SMILES O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23|
Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307435
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccc(F)cc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34FNO4/c1-19(2)13-28(24-15-20(3)14-21(4)16-24)32-30(35)27-17-22(5-6-23(27)7-12-29(33)34)18-36-26-10-8-25(31)9-11-26/h5-6,8-11,14-17,19,28H,7,12-13,18H2,1-4H3,(H,32,35)(H,33,34)
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0.25n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50385134
PNG
(CHEMBL2036325)
Show SMILES O[C@@H](Cc1cccc(c1)-c1nc2cc(Cl)ccc2s1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C27H24ClN3O4S3/c28-18-4-8-23-21(14-18)29-25(38-23)17-3-1-2-16(12-17)13-20(32)7-5-19-6-9-24(33)31(19)10-11-36-27-30-22(15-37-27)26(34)35/h1-5,7-8,12,14-15,19-20,32H,6,9-11,13H2,(H,34,35)/b7-5+/t19-,20+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
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