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BDBM238322 US9394273, 11::US9394273, 12

SMILES: OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=UZKOHPYLAOHDTN-FSKZSRKQSA-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 = 238322   
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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
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1n/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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
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90n/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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
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1.31E+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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
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3.16E+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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/an/an/a 218n/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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 35n/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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 1.01E+3n/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))
BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
PDB

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n/an/an/an/a 16n/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