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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 subtype' and Ligand = 'BDBM50446847'   
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))
BDBM50446847
PNG
(CHEMBL3115074)
Show SMILES C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H28N2O4/c1-17(18-10-12-19(13-11-18)23(27)28)24-22(26)21-9-5-6-14-25(21)15-16-29-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,21H,5-6,9,14-16H2,1H3,(H,24,26)(H,27,28)/t17-,21+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP2 receptor by liquid scintillation counting analysis


Bioorg Med Chem Lett 25: 3176-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.091
BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50446847
PNG
(CHEMBL3115074)
Show SMILES C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H28N2O4/c1-17(18-10-12-19(13-11-18)23(27)28)24-22(26)21-9-5-6-14-25(21)15-16-29-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,21H,5-6,9,14-16H2,1H3,(H,24,26)(H,27,28)/t17-,21+/m0/s1
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US Patent
1.55E+3n/an/an/an/an/an/a7.4n/a



Eli Lilly and Company

US Patent


Assay Description
hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing the human EP1 (Genbank accession number AY275470) or EP4 (Genban...


US Patent US8962659 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q75
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50446847
PNG
(CHEMBL3115074)
Show SMILES C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H28N2O4/c1-17(18-10-12-19(13-11-18)23(27)28)24-22(26)21-9-5-6-14-25(21)15-16-29-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,21H,5-6,9,14-16H2,1H3,(H,24,26)(H,27,28)/t17-,21+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP2 receptor by liquid scintillation counting analysis


Bioorg Med Chem Lett 25: 3176-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.091
BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair