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BDBM50142490 7-{(R)-2-[(E)-3-Hydroxy-3-(5-trifluoromethyl-furan-2-yl)-propenyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid::CHEMBL45418

SMILES: OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1ccc(o1)C(F)(F)F

InChI Key: InChIKey=OPSCHTQVFRPQFQ-PYYZMMIDSA-N

Data: 3 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50142490   
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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142490
PNG
(7-{(R)-2-[(E)-3-Hydroxy-3-(5-trifluoromethyl-furan...)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1ccc(o1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO5/c20-19(21,22)16-10-9-15(28-16)14(24)8-6-13-7-11-17(25)23(13)12-4-2-1-3-5-18(26)27/h6,8-10,13-14,24H,1-5,7,11-12H2,(H,26,27)/b8-6+/t13-,14?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP4 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50142490
PNG
(7-{(R)-2-[(E)-3-Hydroxy-3-(5-trifluoromethyl-furan...)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1ccc(o1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO5/c20-19(21,22)16-10-9-15(28-16)14(24)8-6-13-7-11-17(25)23(13)12-4-2-1-3-5-18(26)27/h6,8-10,13-14,24H,1-5,7,11-12H2,(H,26,27)/b8-6+/t13-,14?/m0/s1
PDB

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antibodypedia
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PC sid
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Article
PubMed
4.90E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP3 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50142490
PNG
(7-{(R)-2-[(E)-3-Hydroxy-3-(5-trifluoromethyl-furan...)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1ccc(o1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO5/c20-19(21,22)16-10-9-15(28-16)14(24)8-6-13-7-11-17(25)23(13)12-4-2-1-3-5-18(26)27/h6,8-10,13-14,24H,1-5,7,11-12H2,(H,26,27)/b8-6+/t13-,14?/m0/s1
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5.80E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP2 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142490
PNG
(7-{(R)-2-[(E)-3-Hydroxy-3-(5-trifluoromethyl-furan...)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1ccc(o1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO5/c20-19(21,22)16-10-9-15(28-16)14(24)8-6-13-7-11-17(25)23(13)12-4-2-1-3-5-18(26)27/h6,8-10,13-14,24H,1-5,7,11-12H2,(H,26,27)/b8-6+/t13-,14?/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Agonist activity against recombinant prostanoid EP4 receptor stably transfected in CHO cells


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair