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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 subtype' and Ligand = 'BDBM202325'   
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))
BDBM202325
PNG
(US9540357, example 16 | US9540357, example 17)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)c1cccc(c1)-c1ccc(Cl)cc1C(F)(F)F |r|
Show InChI InChI=1S/C30H27ClF3NO4/c31-23-10-13-25(26(18-23)30(32,33)34)21-4-1-5-22(17-21)27(36)14-11-24-12-15-28(37)35(24)16-2-3-19-6-8-20(9-7-19)29(38)39/h1,4-11,13-14,17-18,24,27,36H,2-3,12,15-16H2,(H,38,39)/b14-11+/t24-,27?/m0/s1
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
>1.00E+4>-28.5n/an/an/an/an/a7.425



Allergan, Inc.

US Patent


Assay Description
A 384-well drug plate was prepared to contain 6 test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA ...


US Patent US9540357 (2017)


BindingDB Entry DOI: 10.7270/Q24M92QQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM202325
PNG
(US9540357, example 16 | US9540357, example 17)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)c1cccc(c1)-c1ccc(Cl)cc1C(F)(F)F |r|
Show InChI InChI=1S/C30H27ClF3NO4/c31-23-10-13-25(26(18-23)30(32,33)34)21-4-1-5-22(17-21)27(36)14-11-24-12-15-28(37)35(24)16-2-3-19-6-8-20(9-7-19)29(38)39/h1,4-11,13-14,17-18,24,27,36H,2-3,12,15-16H2,(H,38,39)/b14-11+/t24-,27?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+4>-28.5n/an/an/an/an/a7.425



Allergan, Inc.

US Patent


Assay Description
A 384-well drug plate was prepared to contain 6 test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA ...


US Patent US9540357 (2017)


BindingDB Entry DOI: 10.7270/Q24M92QQ
More data for this
Ligand-Target Pair