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BDBM50142480 (E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-hept-5-enoic acid::CHEMBL413509

SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O

InChI Key: InChIKey=YVTIVJFGJQZENO-UXDBMQRGSA-N

Data: 4 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50142480   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142480
PNG
((E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C19H31NO5/c1-2-3-6-9-15(21)11-12-16-17(22)14-18(23)20(16)13-8-5-4-7-10-19(24)25/h5,8,11-12,15-17,21-22H,2-4,6-7,9-10,13-14H2,1H3,(H,24,25)/b8-5+,12-11+/t15-,16-,17+/m0/s1
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n/an/an/an/a 6.10n/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Agonist activity against recombinant prostanoid EP4 receptor stably transfected in CHO cells


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50142480
PNG
((E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C19H31NO5/c1-2-3-6-9-15(21)11-12-16-17(22)14-18(23)20(16)13-8-5-4-7-10-19(24)25/h5,8,11-12,15-17,21-22H,2-4,6-7,9-10,13-14H2,1H3,(H,24,25)/b8-5+,12-11+/t15-,16-,17+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP2 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142480
PNG
((E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C19H31NO5/c1-2-3-6-9-15(21)11-12-16-17(22)14-18(23)20(16)13-8-5-4-7-10-19(24)25/h5,8,11-12,15-17,21-22H,2-4,6-7,9-10,13-14H2,1H3,(H,24,25)/b8-5+,12-11+/t15-,16-,17+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP4 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50142480
PNG
((E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C19H31NO5/c1-2-3-6-9-15(21)11-12-16-17(22)14-18(23)20(16)13-8-5-4-7-10-19(24)25/h5,8,11-12,15-17,21-22H,2-4,6-7,9-10,13-14H2,1H3,(H,24,25)/b8-5+,12-11+/t15-,16-,17+/m0/s1
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8n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP3 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50142480
PNG
((E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C19H31NO5/c1-2-3-6-9-15(21)11-12-16-17(22)14-18(23)20(16)13-8-5-4-7-10-19(24)25/h5,8,11-12,15-17,21-22H,2-4,6-7,9-10,13-14H2,1H3,(H,24,25)/b8-5+,12-11+/t15-,16-,17+/m0/s1
KEGG

UniProtKB/SwissProt

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



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP1 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair