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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50303663'   
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 EP3 subtype


(Homo sapiens (Human))
BDBM50303663
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[(E)-3-(5-Flu...)
Show SMILES Cc1cn(Cc2cn3ccccc3n2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C24H17Cl2FN4O3S2/c1-14-11-31(13-17-12-30-7-3-2-4-20(30)28-17)23-15(8-16(27)9-18(14)23)5-6-21(32)29-36(33,34)22-10-19(25)24(26)35-22/h2-12H,13H2,1H3,(H,29,32)/b6-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50303663
PNG
(4,5-Dichlorothiophene-2-sulfonic Acid[(E)-3-(5-Flu...)
Show SMILES Cc1cn(Cc2cn3ccccc3n2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C24H17Cl2FN4O3S2/c1-14-11-31(13-17-12-30-7-3-2-4-20(30)28-17)23-15(8-16(27)9-18(14)23)5-6-21(32)29-36(33,34)22-10-19(25)24(26)35-22/h2-12H,13H2,1H3,(H,29,32)/b6-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 682n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting in presence of 10% human serum


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair