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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50317901'   
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 EP3 subtype


(Mus musculus (Mouse))
BDBM50317901
PNG
(3-[4-(3,5-Dimethylphenoxy)-2-({[(1R)-1-(3,5-dimeth...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(Oc2cc(C)cc(C)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
Show InChI InChI=1S/C31H37NO4/c1-19(2)11-29(25-14-20(3)12-21(4)15-25)32-31(35)28-18-26(9-7-24(28)8-10-30(33)34)36-27-16-22(5)13-23(6)17-27/h7,9,12-19,29H,8,10-11H2,1-6H3,(H,32,35)(H,33,34)/t29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50317901
PNG
(3-[4-(3,5-Dimethylphenoxy)-2-({[(1R)-1-(3,5-dimeth...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(Oc2cc(C)cc(C)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
Show InChI InChI=1S/C31H37NO4/c1-19(2)11-29(25-14-20(3)12-21(4)15-25)32-31(35)28-18-26(9-7-24(28)8-10-30(33)34)36-27-16-22(5)13-23(6)17-27/h7,9,12-19,29H,8,10-11H2,1-6H3,(H,32,35)(H,33,34)/t29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP3alpha receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level ...


Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
More data for this
Ligand-Target Pair