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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 = 'BDBM50232548'   
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))
BDBM50232548
PNG
(CHEMBL4094572)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C#N)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H16ClN3O4/c1-13(15-5-7-16(8-6-15)22(28)29)26-20(27)19-10-17(23)12-25-21(19)30-18-4-2-3-14(9-18)11-24/h2-10,12-13H,1H3,(H,26,27)(H,28,29)/t13-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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))
BDBM50232548
PNG
(CHEMBL4094572)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C#N)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H16ClN3O4/c1-13(15-5-7-16(8-6-15)22(28)29)26-20(27)19-10-17(23)12-25-21(19)30-18-4-2-3-14(9-18)11-24/h2-10,12-13H,1H3,(H,26,27)(H,28,29)/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 36n/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