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BDBM50308906 3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid::CHEMBL599154

SMILES: C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc2ccccc12

InChI Key: InChIKey=VPXMPIBOESHHAF-HXUWFJFHSA-N

Data: 4 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50308906   
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
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50308906
PNG
(3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4...)
Show SMILES C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H27NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-15,18,20H,16-17,19H2,1H3,(H,30,33)(H,31,32)/t20-/m1/s1
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Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE3alpha from mouse EP3alpha receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 18: 80-90 (2010)


Article DOI: 10.1016/j.bmc.2009.11.023
BindingDB Entry DOI: 10.7270/Q24X57X2
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50308906
PNG
(3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4...)
Show SMILES C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H27NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-15,18,20H,16-17,19H2,1H3,(H,30,33)(H,31,32)/t20-/m1/s1
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PubMed
100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE3 from mouse EP4 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 18: 80-90 (2010)


Article DOI: 10.1016/j.bmc.2009.11.023
BindingDB Entry DOI: 10.7270/Q24X57X2
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50308906
PNG
(3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4...)
Show SMILES C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H27NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-15,18,20H,16-17,19H2,1H3,(H,30,33)(H,31,32)/t20-/m1/s1
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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 18: 80-90 (2010)


Article DOI: 10.1016/j.bmc.2009.11.023
BindingDB Entry DOI: 10.7270/Q24X57X2
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50308906
PNG
(3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4...)
Show SMILES C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H27NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-15,18,20H,16-17,19H2,1H3,(H,30,33)(H,31,32)/t20-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 18: 80-90 (2010)


Article DOI: 10.1016/j.bmc.2009.11.023
BindingDB Entry DOI: 10.7270/Q24X57X2
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50308906
PNG
(3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4...)
Show SMILES C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H27NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-15,18,20H,16-17,19H2,1H3,(H,30,33)(H,31,32)/t20-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP3alpha receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level ...


Bioorg Med Chem 18: 80-90 (2010)


Article DOI: 10.1016/j.bmc.2009.11.023
BindingDB Entry DOI: 10.7270/Q24X57X2
More data for this
Ligand-Target Pair