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2 similar compounds to monomer 68319

Compile data set for download or QSAR
Wt: 487.5
BDBM61147
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Wt: 473.5
BDBM68318
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 61147,68318   
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))
BDBM61147
PNG
(MLS001079048 | N-(2-isopropoxy-5-morpholinosulfony...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29)
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n/an/an/an/a 969n/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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61147
PNG
(MLS001079048 | N-(2-isopropoxy-5-morpholinosulfony...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29)
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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 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))
BDBM61147
PNG
(MLS001079048 | N-(2-isopropoxy-5-morpholinosulfony...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29)
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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/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68318
PNG
(MLS-0401659.0001 | N-(2-ethoxy-5-morpholin-4-ylsul...)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c1-2-32-21-10-9-19(33(29,30)25-12-14-31-15-13-25)16-20(21)24-23(28)17-5-7-18(8-6-17)26-11-3-4-22(26)27/h5-10,16H,2-4,11-15H2,1H3,(H,24,28)
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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/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM68318
PNG
(MLS-0401659.0001 | N-(2-ethoxy-5-morpholin-4-ylsul...)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c1-2-32-21-10-9-19(33(29,30)25-12-14-31-15-13-25)16-20(21)24-23(28)17-5-7-18(8-6-17)26-11-3-4-22(26)27/h5-10,16H,2-4,11-15H2,1H3,(H,24,28)
PDB

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n/an/a 4.98E+3n/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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68318
PNG
(MLS-0401659.0001 | N-(2-ethoxy-5-morpholin-4-ylsul...)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c1-2-32-21-10-9-19(33(29,30)25-12-14-31-15-13-25)16-20(21)24-23(28)17-5-7-18(8-6-17)26-11-3-4-22(26)27/h5-10,16H,2-4,11-15H2,1H3,(H,24,28)
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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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM61147
PNG
(MLS001079048 | N-(2-isopropoxy-5-morpholinosulfony...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29)
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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))
BDBM68318
PNG
(MLS-0401659.0001 | N-(2-ethoxy-5-morpholin-4-ylsul...)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c1-2-32-21-10-9-19(33(29,30)25-12-14-31-15-13-25)16-20(21)24-23(28)17-5-7-18(8-6-17)26-11-3-4-22(26)27/h5-10,16H,2-4,11-15H2,1H3,(H,24,28)
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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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68318
PNG
(MLS-0401659.0001 | N-(2-ethoxy-5-morpholin-4-ylsul...)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c1-2-32-21-10-9-19(33(29,30)25-12-14-31-15-13-25)16-20(21)24-23(28)17-5-7-18(8-6-17)26-11-3-4-22(26)27/h5-10,16H,2-4,11-15H2,1H3,(H,24,28)
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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) Network: NIH Molec...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2833QFS
More data for this
Ligand-Target Pair