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BDBM50181298 5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)phenyl)butyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid::CHEMBL378376

SMILES: O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=JYZXGURJKNAFPT-ZWKOTPCHSA-N

Data: 4 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50181298   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181298
PNG
(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat EP4 transfected in HEK293 cells by cAMP accumulation


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Prostanoid EP2 receptor


(Rattus norvegicus)
BDBM50181298
PNG
(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
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n/an/a 483n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Prostanoid EP2 receptor


(Rattus norvegicus)
BDBM50181298
PNG
(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
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n/an/a 483n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat EP2 receptor


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181298
PNG
(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat EP4 receptor expressed in HEK293 cells assessed as cAMP activation


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181298
PNG
(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50181298
PNG
(5-(3-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)p...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1
Reactome pathway
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UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair