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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 subtype' and Ligand = 'BDBM50117689'   
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 EP2 subtype


(Homo sapiens (Human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
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PC cid
PC sid
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP2 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair