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BDBM50232562 CHEMBL4066230

SMILES: OC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1

InChI Key: InChIKey=XKTODFJLZWCJKL-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232562   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50232562
PNG
(CHEMBL4066230)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H15ClFNO4/c22-15-5-10-19(28-17-8-6-16(23)7-9-17)18(11-15)20(25)24-12-13-1-3-14(4-2-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
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PC sid
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Similars

PubMed
n/an/a 101n/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)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232562
PNG
(CHEMBL4066230)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H15ClFNO4/c22-15-5-10-19(28-17-8-6-16(23)7-9-17)18(11-15)20(25)24-12-13-1-3-14(4-2-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 22n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


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


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair