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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 subtype' and Ligand = 'BDBM238336'   
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 EP2 subtype


(Homo sapiens (Human))
BDBM238336
PNG
(US9394273, 25 | US9394273, 26)
Show SMILES OC(Cc1cccc(F)c1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-21-3-1-2-18(23(21)26)14-19(27)11-9-16-10-13-22(28)20(16)12-6-15-4-7-17(8-5-15)24(29)30/h1-5,7-9,11,16,19-20,27H,6,10,12-14H2,(H,29,30)/b11-9+/t16-,19?,20+/m0/s1
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US Patent
1.24E+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))
BDBM238336
PNG
(US9394273, 25 | US9394273, 26)
Show SMILES OC(Cc1cccc(F)c1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-21-3-1-2-18(23(21)26)14-19(27)11-9-16-10-13-22(28)20(16)12-6-15-4-7-17(8-5-15)24(29)30/h1-5,7-9,11,16,19-20,27H,6,10,12-14H2,(H,29,30)/b11-9+/t16-,19?,20+/m0/s1
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US Patent
3.15E+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))
BDBM238336
PNG
(US9394273, 25 | US9394273, 26)
Show SMILES OC(Cc1cccc(F)c1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-21-3-1-2-18(23(21)26)14-19(27)11-9-16-10-13-22(28)20(16)12-6-15-4-7-17(8-5-15)24(29)30/h1-5,7-9,11,16,19-20,27H,6,10,12-14H2,(H,29,30)/b11-9+/t16-,19?,20+/m0/s1
PDB

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PC cid
PC sid
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US Patent
n/an/an/an/a 164n/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))
BDBM238336
PNG
(US9394273, 25 | US9394273, 26)
Show SMILES OC(Cc1cccc(F)c1F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-21-3-1-2-18(23(21)26)14-19(27)11-9-16-10-13-22(28)20(16)12-6-15-4-7-17(8-5-15)24(29)30/h1-5,7-9,11,16,19-20,27H,6,10,12-14H2,(H,29,30)/b11-9+/t16-,19?,20+/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
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