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3 similar compounds to monomer 68301

Compile data set for download or QSAR
Wt: 420.4
BDBM68295
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Wt: 478.5
BDBM68303
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Wt: 410.8
BDBM68329

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 68295,68303,68329   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM68329
PNG
(4-chloranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H19ClN2O5S/c1-25-17-7-6-15(27(23,24)21-8-10-26-11-9-21)12-16(17)20-18(22)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68329
PNG
(4-chloranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H19ClN2O5S/c1-25-17-7-6-15(27(23,24)21-8-10-26-11-9-21)12-16(17)20-18(22)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CV4G56
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2833QFS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68303
PNG
(3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-ph...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(OCC(C)C)c(OC)c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O7S/c1-16(2)15-32-21-7-5-17(13-22(21)30-4)23(26)24-19-14-18(6-8-20(19)29-3)33(27,28)25-9-11-31-12-10-25/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2833QFS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68329
PNG
(4-chloranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H19ClN2O5S/c1-25-17-7-6-15(27(23,24)21-8-10-26-11-9-21)12-16(17)20-18(22)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2833QFS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68303
PNG
(3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-ph...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(OCC(C)C)c(OC)c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O7S/c1-16(2)15-32-21-7-5-17(13-22(21)30-4)23(26)24-19-14-18(6-8-20(19)29-3)33(27,28)25-9-11-31-12-10-25/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,26)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68329
PNG
(4-chloranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H19ClN2O5S/c1-25-17-7-6-15(27(23,24)21-8-10-26-11-9-21)12-16(17)20-18(22)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,22)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24B2ZRH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Net...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68303
PNG
(3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-ph...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(OCC(C)C)c(OC)c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O7S/c1-16(2)15-32-21-7-5-17(13-22(21)30-4)23(26)24-19-14-18(6-8-20(19)29-3)33(27,28)25-9-11-31-12-10-25/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Net...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68329
PNG
(4-chloranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H19ClN2O5S/c1-25-17-7-6-15(27(23,24)21-8-10-26-11-9-21)12-16(17)20-18(22)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Net...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM68303
PNG
(3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-ph...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(OCC(C)C)c(OC)c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O7S/c1-16(2)15-32-21-7-5-17(13-22(21)30-4)23(26)24-19-14-18(6-8-20(19)29-3)33(27,28)25-9-11-31-12-10-25/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,26)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68303
PNG
(3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-ph...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(OCC(C)C)c(OC)c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O7S/c1-16(2)15-32-21-7-5-17(13-22(21)30-4)23(26)24-19-14-18(6-8-20(19)29-3)33(27,28)25-9-11-31-12-10-25/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CV4G56
More data for this
Ligand-Target Pair