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BDBM50125417 7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid::CHEMBL14359

SMILES: OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O

InChI Key: InChIKey=UZCVIBSSODXGNY-XIFFAYIDSA-N

Data: 11 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 12 hits for monomerid = 50125417   
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))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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6.10n/an/an/an/an/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 F2-alpha receptor


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards FP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP3 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards IP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards DP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP1 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards TP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP2 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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3.10E+4n/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


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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1.00E+5n/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 EP4 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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n/an/an/an/a 140n/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