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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50317908   
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


(Mus musculus (Mouse))
BDBM50317908
PNG
(3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2C)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
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)/t28-/m1/s1
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Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50317908
PNG
(3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2C)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
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)/t28-/m1/s1
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Article
PubMed
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 liquid scintillation counting


Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Mus musculus (Mouse))
BDBM50317908
PNG
(3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2C)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
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)/t28-/m1/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Mus musculus (Mouse))
BDBM50317908
PNG
(3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2C)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
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)/t28-/m1/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
More data for this
Ligand-Target Pair