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SMILES: OC(Cc1ccc2OCCOc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=MNOWTPKQIFXALT-RIAOBBJCSA-N

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 = 238324   
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))
BDBM238324
PNG
(US9394273, 13 | US9394273, 14)
Show SMILES OC(Cc1ccc2OCCOc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H28O6/c27-21(15-18-4-12-24-25(16-18)32-14-13-31-24)9-7-19-8-11-23(28)22(19)10-3-17-1-5-20(6-2-17)26(29)30/h1-2,4-7,9,12,16,19,21-22,27H,3,8,10-11,13-15H2,(H,29,30)/b9-7+/t19-,21?,22+/m0/s1
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US Patent
81n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4° C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buf...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM238324
PNG
(US9394273, 13 | US9394273, 14)
Show SMILES OC(Cc1ccc2OCCOc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H28O6/c27-21(15-18-4-12-24-25(16-18)32-14-13-31-24)9-7-19-8-11-23(28)22(19)10-3-17-1-5-20(6-2-17)26(29)30/h1-2,4-7,9,12,16,19,21-22,27H,3,8,10-11,13-15H2,(H,29,30)/b9-7+/t19-,21?,22+/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4° C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buf...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM238324
PNG
(US9394273, 13 | US9394273, 14)
Show SMILES OC(Cc1ccc2OCCOc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H28O6/c27-21(15-18-4-12-24-25(16-18)32-14-13-31-24)9-7-19-8-11-23(28)22(19)10-3-17-1-5-20(6-2-17)26(29)30/h1-2,4-7,9,12,16,19,21-22,27H,3,8,10-11,13-15H2,(H,29,30)/b9-7+/t19-,21?,22+/m0/s1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4° C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buf...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM238324
PNG
(US9394273, 13 | US9394273, 14)
Show SMILES OC(Cc1ccc2OCCOc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H28O6/c27-21(15-18-4-12-24-25(16-18)32-14-13-31-24)9-7-19-8-11-23(28)22(19)10-3-17-1-5-20(6-2-17)26(29)30/h1-2,4-7,9,12,16,19,21-22,27H,3,8,10-11,13-15H2,(H,29,30)/b9-7+/t19-,21?,22+/m0/s1
PDB

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US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4° C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buf...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM238324
PNG
(US9394273, 13 | US9394273, 14)
Show SMILES OC(Cc1ccc2OCCOc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H28O6/c27-21(15-18-4-12-24-25(16-18)32-14-13-31-24)9-7-19-8-11-23(28)22(19)10-3-17-1-5-20(6-2-17)26(29)30/h1-2,4-7,9,12,16,19,21-22,27H,3,8,10-11,13-15H2,(H,29,30)/b9-7+/t19-,21?,22+/m0/s1
PDB

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US Patent
n/an/an/an/a 8n/an/a7.425



ALLERGAN, INC.

US Patent


Assay Description
A 384-well drug plate was prepared to contain test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA ce...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM238324
PNG
(US9394273, 13 | US9394273, 14)
Show SMILES OC(Cc1ccc2OCCOc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H28O6/c27-21(15-18-4-12-24-25(16-18)32-14-13-31-24)9-7-19-8-11-23(28)22(19)10-3-17-1-5-20(6-2-17)26(29)30/h1-2,4-7,9,12,16,19,21-22,27H,3,8,10-11,13-15H2,(H,29,30)/b9-7+/t19-,21?,22+/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 142n/an/a7.425



ALLERGAN, INC.

US Patent


Assay Description
A 384-well drug plate was prepared to contain test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA ce...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair