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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 = 'BDBM50317910'   
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))
BDBM50317910
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[(1R)-1-(3,5-dim...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
Show InChI InChI=1S/C31H34N2O4/c1-20(2)12-29(26-14-21(3)13-22(4)15-26)33-31(36)28-17-24(8-9-25(28)10-11-30(34)35)19-37-27-7-5-6-23(16-27)18-32/h5-9,13-17,20,29H,10-12,19H2,1-4H3,(H,33,36)(H,34,35)/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))
BDBM50317910
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[(1R)-1-(3,5-dim...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
Show InChI InChI=1S/C31H34N2O4/c1-20(2)12-29(26-14-21(3)13-22(4)15-26)33-31(36)28-17-24(8-9-25(28)10-11-30(34)35)19-37-27-7-5-6-23(16-27)18-32/h5-9,13-17,20,29H,10-12,19H2,1-4H3,(H,33,36)(H,34,35)/t29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/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