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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 = 'BDBM190270'   
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))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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Article
PubMed
329n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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PubMed
n/an/an/an/a 2.27E+3n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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Article
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n/an/an/an/a>1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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US Patent
n/an/an/an/a 205n/an/an/a37



Cayman Chemical Company, Inc.

US Patent


Assay Description
1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 ul of reduced serum medium containing 0.5% FBS. Place the p...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair