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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50101854'   
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))
BDBM50101854
PNG
(CHEMBL59921 | {3-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-...)
Show SMILES Cc1ccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)cc1
Show InChI InChI=1S/C21H28O5S2/c1-14-3-5-15(6-4-14)11-16(22)7-8-17-18(23)12-19(24)21(17)28-10-2-9-27-13-20(25)26/h3-8,16-18,21-23H,2,9-13H2,1H3,(H,25,26)/b8-7+/t16-,17+,18-,21-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
72n/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