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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM238312'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM238312
PNG
(US9394273, 1 | US9394273, 2)
Show SMILES OC(Cc1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H28O4/c29-25(18-20-7-9-21-3-1-2-4-24(21)17-20)14-12-22-13-16-27(30)26(22)15-8-19-5-10-23(11-6-19)28(31)32/h1-7,9-12,14,17,22,25-26,29H,8,13,15-16,18H2,(H,31,32)/b14-12+/t22-,25?,26+/m0/s1
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US Patent
0.800n/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))
BDBM238312
PNG
(US9394273, 1 | US9394273, 2)
Show SMILES OC(Cc1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H28O4/c29-25(18-20-7-9-21-3-1-2-4-24(21)17-20)14-12-22-13-16-27(30)26(22)15-8-19-5-10-23(11-6-19)28(31)32/h1-7,9-12,14,17,22,25-26,29H,8,13,15-16,18H2,(H,31,32)/b14-12+/t22-,25?,26+/m0/s1
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US Patent
10n/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))
BDBM238312
PNG
(US9394273, 1 | US9394273, 2)
Show SMILES OC(Cc1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H28O4/c29-25(18-20-7-9-21-3-1-2-4-24(21)17-20)14-12-22-13-16-27(30)26(22)15-8-19-5-10-23(11-6-19)28(31)32/h1-7,9-12,14,17,22,25-26,29H,8,13,15-16,18H2,(H,31,32)/b14-12+/t22-,25?,26+/m0/s1
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US Patent
n/an/an/an/a 1n/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))
BDBM238312
PNG
(US9394273, 1 | US9394273, 2)
Show SMILES OC(Cc1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H28O4/c29-25(18-20-7-9-21-3-1-2-4-24(21)17-20)14-12-22-13-16-27(30)26(22)15-8-19-5-10-23(11-6-19)28(31)32/h1-7,9-12,14,17,22,25-26,29H,8,13,15-16,18H2,(H,31,32)/b14-12+/t22-,25?,26+/m0/s1
PDB

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UniChem
US Patent
n/an/an/an/a 21n/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