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BDBM238338 US9394273, 27::US9394273, 28

SMILES: OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=HNZZMMKIJHPUAD-WIPJZLDNSA-N

Data: 4 KI  5 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 9 hits for monomerid = 238338   
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))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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5n/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))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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457n/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))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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1.30E+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))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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3.63E+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 EP4 subtype


(Homo sapiens (Human))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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n/an/an/an/a 0.200n/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


(Homo sapiens (Human))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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n/an/an/an/a 5.99E+3n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...


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))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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n/an/an/an/a 10n/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 EP2 subtype


(Homo sapiens (Human))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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n/an/an/an/a 125n/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))
BDBM238338
PNG
(US9394273, 27 | US9394273, 28)
Show SMILES OC(Cc1cc(F)ccc1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-19-8-11-22(26)18(13-19)14-20(27)9-6-16-7-12-23(28)21(16)10-3-15-1-4-17(5-2-15)24(29)30/h1-2,4-6,8-9,11,13,16,20-21,27H,3,7,10,12,14H2,(H,29,30)/b9-6+/t16-,20?,21+/m0/s1
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n/an/an/an/a 18n/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