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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50101859'   
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 EP4 subtype


(Mus musculus (Mouse))
BDBM50101859
PNG
(4-(2-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(E)-(S)-...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C23H33FO5S/c1-29-15-17-5-2-4-16(12-17)13-18(25)7-8-20-19(21(24)14-22(20)26)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-22,25-26H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-,22-/m1/s1
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PC cid
PC sid
UniChem

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PubMed
32n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP4 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 EP4 subtype


(Mus musculus (Mouse))
BDBM50101859
PNG
(4-(2-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(E)-(S)-...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C23H33FO5S/c1-29-15-17-5-2-4-16(12-17)13-18(25)7-8-20-19(21(24)14-22(20)26)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-22,25-26H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 270n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid IP 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