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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor' and Ligand = 'BDBM50315480'   
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


(Homo sapiens (Human))
BDBM50315480
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H18F4N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315480
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H18F4N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair