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BDBM50097792 (E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic acid::3-(2-(naphthalen-2-ylmethyl)phenyl)acrylic acid::CHEMBL423815

SMILES: OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1

InChI Key: InChIKey=MOLQZQYMXCCLHS-VAWYXSNFSA-N

Data: 17 KI

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 17 hits for monomerid = 50097792   
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


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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20n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Prostanoid EP3 receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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47n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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400n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor in presence of HSA


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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>500n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to IP receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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>500n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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>500n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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>500n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to FP receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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530n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Prostanoid DP receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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3.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Prostanoid EP4 receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Thromboxane A2 receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Prostanoid EP2 receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP2 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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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 to EP4 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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6.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Prostanoid FP receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Prostanoid IP receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50097792
PNG
((E)-3-(2-Naphthalen-2-ylmethyl-phenyl)-acrylic aci...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11+
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Antagonistic activity at Prostanoid EP1 receptor in human was determined


Bioorg Med Chem Lett 11: 747-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GB239F
More data for this
Ligand-Target Pair