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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 = 'BDBM50232545'   
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))
BDBM50232545
PNG
(CHEMBL4078648)
Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-5-7-15(8-6-14)22(27)28)25-21(26)19-11-16(23)9-10-20(19)29-18-4-2-3-17(24)12-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232545
PNG
(CHEMBL4078648)
Show SMILES C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H17ClFNO4/c1-13(14-5-7-15(8-6-14)22(27)28)25-21(26)19-11-16(23)9-10-20(19)29-18-4-2-3-17(24)12-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.067
BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair