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BDBM50193922 CHEMBL218071::N-(5-bromo-2-methoxyphenylsulfonyl)-3-(2-(naphthalen-2-ylmethyl)phenyl)acrylamide

SMILES: COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1

InChI Key: InChIKey=ODTKFNUPVBULRJ-NTCAYCPXSA-N

Data: 9 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 9 hits for monomerid = 50193922   
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))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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0.600n/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))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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6.90n/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 DP receptor


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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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))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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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))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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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 IP receptor


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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890n/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 E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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3.90E+4n/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 EP2 subtype


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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>5.00E+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