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BDBM238314 US9394273, 3::US9394273, 4

SMILES: OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=XHFNHGXDNFRXKW-JKUHXCCASA-N

Data: 4 KI  4 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 8 hits for monomerid = 238314   
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))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
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603n/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))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
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2.31E+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))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
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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))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
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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 EP4 subtype


(Homo sapiens (Human))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
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n/an/an/an/a 1.28E+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))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
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n/an/an/an/a 186n/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))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
PDB

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US Patent
n/an/an/an/a>1.00E+4n/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))
BDBM238314
PNG
(US9394273, 3 | US9394273, 4)
Show SMILES OC(Cc1sc2ccccc2c1Cl)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H25ClO4S/c27-25-21-3-1-2-4-23(21)32-24(25)15-19(28)12-10-17-11-14-22(29)20(17)13-7-16-5-8-18(9-6-16)26(30)31/h1-6,8-10,12,17,19-20,28H,7,11,13-15H2,(H,30,31)/b12-10+/t17-,19?,20+/m0/s1
PDB

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US Patent
n/an/an/an/a>1.00E+4n/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