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BDBM263347 US9546162, 5

SMILES: COc1cc(CO)cc(CN2CCc3cccc(CCc4ccc(cc4)C(O)=O)c23)c1

InChI Key: InChIKey=FNGLGUNHIVLOJA-UHFFFAOYSA-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 4 hits for monomerid = 263347   
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 EP2 subtype


(Homo sapiens (Human))
BDBM263347
PNG
(US9546162, 5)
Show SMILES COc1cc(CO)cc(CN2CCc3cccc(CCc4ccc(cc4)C(O)=O)c23)c1
Show InChI InChI=1S/C26H27NO4/c1-31-24-14-19(13-20(15-24)17-28)16-27-12-11-22-4-2-3-21(25(22)27)8-5-18-6-9-23(10-7-18)26(29)30/h2-4,6-7,9-10,13-15,28H,5,8,11-12,16-17H2,1H3,(H,29,30)
PDB

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PC cid
PC sid
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US Patent
2n/an/an/a 11n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom o...


US Patent US9546162 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QHV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM263347
PNG
(US9546162, 5)
Show SMILES COc1cc(CO)cc(CN2CCc3cccc(CCc4ccc(cc4)C(O)=O)c23)c1
Show InChI InChI=1S/C26H27NO4/c1-31-24-14-19(13-20(15-24)17-28)16-27-12-11-22-4-2-3-21(25(22)27)8-5-18-6-9-23(10-7-18)26(29)30/h2-4,6-7,9-10,13-15,28H,5,8,11-12,16-17H2,1H3,(H,29,30)
PDB

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PC cid
PC sid
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US Patent
6n/an/an/a 41n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom o...


US Patent US9546162 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QHV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM263347
PNG
(US9546162, 5)
Show SMILES COc1cc(CO)cc(CN2CCc3cccc(CCc4ccc(cc4)C(O)=O)c23)c1
Show InChI InChI=1S/C26H27NO4/c1-31-24-14-19(13-20(15-24)17-28)16-27-12-11-22-4-2-3-21(25(22)27)8-5-18-6-9-23(10-7-18)26(29)30/h2-4,6-7,9-10,13-15,28H,5,8,11-12,16-17H2,1H3,(H,29,30)
PDB

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PC cid
PC sid
UniChem
US Patent
15n/an/an/a 13n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Cells were seeded at a density of 5×104 cells per well in Biocoat® Poly-D-lysine-coated black-wall, clear-bottom 96-well plates (Becton-Dickinson) an...


US Patent US9546162 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QHV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM263347
PNG
(US9546162, 5)
Show SMILES COc1cc(CO)cc(CN2CCc3cccc(CCc4ccc(cc4)C(O)=O)c23)c1
Show InChI InChI=1S/C26H27NO4/c1-31-24-14-19(13-20(15-24)17-28)16-27-12-11-22-4-2-3-21(25(22)27)8-5-18-6-9-23(10-7-18)26(29)30/h2-4,6-7,9-10,13-15,28H,5,8,11-12,16-17H2,1H3,(H,29,30)
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
19n/an/an/a 3n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Cells were seeded at a density of 5×104 cells per well in Biocoat® Poly-D-lysine-coated black-wall, clear-bottom 96-well plates (Becton-Dickinson) an...


US Patent US9546162 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QHV
More data for this
Ligand-Target Pair