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8 similar compounds to monomer 68330

Compile data set for download or QSAR
Wt: 436.5
BDBM61072
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Wt: 477.5
BDBM61103
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Wt: 440.9
BDBM68292
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Wt: 478.6
BDBM68300
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Wt: 450.5
BDBM68311
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Wt: 464.5
BDBM68313
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Wt: 475.6
BDBM68315
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Wt: 464.5
BDBM68316
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 61072,61103,68292,68300,68311,68313,68315,68316   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61072
PNG
(MLS000394288 | N-(2-methoxy-5-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-17-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(17)21-20(23)19-12-14-4-2-3-5-18(14)28-19/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,23)
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Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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MMDB

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n/an/a 5.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61072
PNG
(MLS000394288 | N-(2-methoxy-5-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-17-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(17)21-20(23)19-12-14-4-2-3-5-18(14)28-19/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,23)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM61072
PNG
(MLS000394288 | N-(2-methoxy-5-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-17-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(17)21-20(23)19-12-14-4-2-3-5-18(14)28-19/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,23)
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Burnham Center for Chemical Genomics

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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 2


(Homo sapiens (Human))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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Burnham Center for Chemical Genomics

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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 2


(Homo sapiens (Human))
BDBM68300
PNG
(MLS-0435529.0001 | N-(2-isopropoxy-5-morpholinosul...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O5S2/c1-16(2)30-20-9-8-18(32(27,28)25-10-12-29-13-11-25)15-19(20)24-23(26)22-14-17-6-4-3-5-7-21(17)31-22/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,24,26)
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Burnham Center for Chemical Genomics

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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 2


(Homo sapiens (Human))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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Burnham Center for Chemical Genomics

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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 2


(Homo sapiens (Human))
BDBM68313
PNG
(MLS-0435539.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)
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Burnham Center for Chemical Genomics

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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 2


(Homo sapiens (Human))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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Burnham Center for Chemical Genomics

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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 2


(Homo sapiens (Human))
BDBM68316
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCC1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-3-15-4-7-20-16(12-15)13-21(30-20)22(25)23-18-14-17(5-6-19(18)28-2)31(26,27)24-8-10-29-11-9-24/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,25)
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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))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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Burnham Center for Chemical Genomics

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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))
BDBM68300
PNG
(MLS-0435529.0001 | N-(2-isopropoxy-5-morpholinosul...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O5S2/c1-16(2)30-20-9-8-18(32(27,28)25-10-12-29-13-11-25)15-19(20)24-23(26)22-14-17-6-4-3-5-7-21(17)31-22/h8-9,14-16H,3-7,10-13H2,1-2H3,(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))
BDBM68313
PNG
(MLS-0435539.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)
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Burnham Center for Chemical Genomics

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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))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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Burnham Center for Chemical Genomics

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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))
BDBM68316
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCC1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-3-15-4-7-20-16(12-15)13-21(30-20)22(25)23-18-14-17(5-6-19(18)28-2)31(26,27)24-8-10-29-11-9-24/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,25)
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Burnham Center for Chemical Genomics

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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))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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Burnham Center for Chemical Genomics

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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))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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Burnham Center for Chemical Genomics

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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))
BDBM68300
PNG
(MLS-0435529.0001 | N-(2-isopropoxy-5-morpholinosul...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O5S2/c1-16(2)30-20-9-8-18(32(27,28)25-10-12-29-13-11-25)15-19(20)24-23(26)22-14-17-6-4-3-5-7-21(17)31-22/h8-9,14-16H,3-7,10-13H2,1-2H3,(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/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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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/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68313
PNG
(MLS-0435539.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)
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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/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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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/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68316
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCC1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-3-15-4-7-20-16(12-15)13-21(30-20)22(25)23-18-14-17(5-6-19(18)28-2)31(26,27)24-8-10-29-11-9-24/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,25)
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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/Q24B2ZRH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM61072
PNG
(MLS000394288 | N-(2-methoxy-5-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-17-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(17)21-20(23)19-12-14-4-2-3-5-18(14)28-19/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,23)
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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))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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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))
BDBM68300
PNG
(MLS-0435529.0001 | N-(2-isopropoxy-5-morpholinosul...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O5S2/c1-16(2)30-20-9-8-18(32(27,28)25-10-12-29-13-11-25)15-19(20)24-23(26)22-14-17-6-4-3-5-7-21(17)31-22/h8-9,14-16H,3-7,10-13H2,1-2H3,(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))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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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))
BDBM68313
PNG
(MLS-0435539.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)
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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))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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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))
BDBM68316
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCC1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-3-15-4-7-20-16(12-15)13-21(30-20)22(25)23-18-14-17(5-6-19(18)28-2)31(26,27)24-8-10-29-11-9-24/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,25)
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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))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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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))
BDBM68300
PNG
(MLS-0435529.0001 | N-(2-isopropoxy-5-morpholinosul...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H30N2O5S2/c1-16(2)30-20-9-8-18(32(27,28)25-10-12-29-13-11-25)15-19(20)24-23(26)22-14-17-6-4-3-5-7-21(17)31-22/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,24,26)
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n/an/a 2.75E+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 1


(Homo sapiens (Human))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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n/an/a 2.06E+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 1


(Homo sapiens (Human))
BDBM68313
PNG
(MLS-0435539.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)
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n/an/a 1.82E+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 1


(Homo sapiens (Human))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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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))
BDBM68316
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCC1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H28N2O5S2/c1-3-15-4-7-20-16(12-15)13-21(30-20)22(25)23-18-14-17(5-6-19(18)28-2)31(26,27)24-8-10-29-11-9-24/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,25)
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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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61103
PNG
(MLS000759858 | N-(2-morpholin-4-yl-5-morpholin-4-y...)
Show SMILES O=C(Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCc2s1
Show InChI InChI=1S/C22H27N3O5S2/c26-22(21-14-16-2-1-3-20(16)31-21)23-18-15-17(32(27,28)25-8-12-30-13-9-25)4-5-19(18)24-6-10-29-11-7-24/h4-5,14-15H,1-3,6-13H2,(H,23,26)
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n/an/an/an/a 6.36E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair