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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 = 'BDBM50101836'   
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


(Mus musculus (Mouse))
BDBM50101836
PNG
(6-[(S)-(R)-3-Hydroxy-2-((1S,2R)-3-hydroxy-oct-1-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-5-8-14(20)10-11-15-16(21)13-17(22)19(15)25-12-7-4-6-9-18(23)24/h10-11,14-16,19-21H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.5n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50101836
PNG
(6-[(S)-(R)-3-Hydroxy-2-((1S,2R)-3-hydroxy-oct-1-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-5-8-14(20)10-11-15-16(21)13-17(22)19(15)25-12-7-4-6-9-18(23)24/h10-11,14-16,19-21H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.5n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Evaluated for its competitive binding affinity towards mouse Prostanoid EP3 receptor in CHO cells expressing prostanoid receptor


Bioorg Med Chem Lett 11: 2029-31 (2001)


BindingDB Entry DOI: 10.7270/Q2833R9D
More data for this
Ligand-Target Pair