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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 = 'BDBM50303711'   
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))
BDBM50303711
PNG
(3,4-Difluoro-N-{(E)-3-[5-fluoro-1-(3-methoxybenzyl...)
Show SMILES COc1cccc(Cn2cc(C)c3cc(F)cc(\C=C\C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)c23)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-16-14-31(15-17-4-3-5-20(10-17)35-2)26-18(11-19(27)12-22(16)26)6-9-25(32)30-36(33,34)21-7-8-23(28)24(29)13-21/h3-14H,15H2,1-2H3,(H,30,32)/b9-6+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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))
BDBM50303711
PNG
(3,4-Difluoro-N-{(E)-3-[5-fluoro-1-(3-methoxybenzyl...)
Show SMILES COc1cccc(Cn2cc(C)c3cc(F)cc(\C=C\C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)c23)c1
Show InChI InChI=1S/C26H21F3N2O4S/c1-16-14-31(15-17-4-3-5-20(10-17)35-2)26-18(11-19(27)12-22(16)26)6-9-25(32)30-36(33,34)21-7-8-23(28)24(29)13-21/h3-14H,15H2,1-2H3,(H,30,32)/b9-6+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 147n/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