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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50334130'   
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 EP4 subtype


(Homo sapiens (Human))
BDBM50334130
PNG
((S)-4-(1-(1-(3,4-dichlorobenzyl)indoline-7-carboxa...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(Cl)c(Cl)c3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22Cl2N2O3/c1-15(17-6-8-19(9-7-17)25(31)32)28-24(30)20-4-2-3-18-11-12-29(23(18)20)14-16-5-10-21(26)22(27)13-16/h2-10,13,15H,11-12,14H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1
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Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334130
PNG
((S)-4-(1-(1-(3,4-dichlorobenzyl)indoline-7-carboxa...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(Cl)c(Cl)c3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22Cl2N2O3/c1-15(17-6-8-19(9-7-17)25(31)32)28-24(30)20-4-2-3-18-11-12-29(23(18)20)14-16-5-10-21(26)22(27)13-16/h2-10,13,15H,11-12,14H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human prostanoid EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillat...


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair