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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 = 'BDBM50334140'   
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))
BDBM50334140
PNG
((S)-4-(1-(1-(pyridin-3-ylmethyl)indoline-7-carboxa...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3cccnc3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H23N3O3/c1-16(18-7-9-20(10-8-18)24(29)30)26-23(28)21-6-2-5-19-11-13-27(22(19)21)15-17-4-3-12-25-14-17/h2-10,12,14,16H,11,13,15H2,1H3,(H,26,28)(H,29,30)/t16-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
76n/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))
BDBM50334140
PNG
((S)-4-(1-(1-(pyridin-3-ylmethyl)indoline-7-carboxa...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3cccnc3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H23N3O3/c1-16(18-7-9-20(10-8-18)24(29)30)26-23(28)21-6-2-5-19-11-13-27(22(19)21)15-17-4-3-12-25-14-17/h2-10,12,14,16H,11,13,15H2,1H3,(H,26,28)(H,29,30)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 258n/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