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PubChem AID 434929

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68323
PNG
(2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-...)
Show SMILES CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS2/c1-15-9-10-18-12-16(2)22-26-27-24(29(22)20(18)11-15)32-14-21(30)28(3)23-25-19(13-31-23)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
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n/an/a 4.44E+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
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)
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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
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68309
PNG
(MLS-0435535.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES CCCc1cc(sc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H26N2O5S2/c1-4-5-15-12-19(28-14(15)2)20(23)21-17-13-16(6-7-18(17)26-3)29(24,25)22-8-10-27-11-9-22/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,21,23)
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n/an/a 7.68E+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
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68307
PNG
(MLS-0435533.0001 | N,N-diethyl-3-(4-phenylpiperazi...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H36N4O3S/c1-3-30(4-2)34(32,33)23-13-14-25(28-15-9-6-10-16-28)24(21-23)26(31)29-19-17-27(18-20-29)22-11-7-5-8-12-22/h5,7-8,11-14,21H,3-4,6,9-10,15-20H2,1-2H3
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n/an/a 9.36E+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
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68324
PNG
(MLS-0435554.0001 | cid_1135867)
Show SMILES Cc1cc2cc3OCCOc3cc2n2c(SCC(=O)Nc3nc(cs3)-c3ccccc3)nnc12
Show InChI InChI=1S/C24H19N5O3S2/c1-14-9-16-10-19-20(32-8-7-31-19)11-18(16)29-22(14)27-28-24(29)34-13-21(30)26-23-25-17(12-33-23)15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H,25,26,30)
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n/an/a 1.27E+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))
BDBM68308
PNG
(4-chloranyl-3-[4-(2,3-dimethylphenyl)piperazin-1-y...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C21H26ClN3O3S/c1-15-6-5-7-20(16(15)2)24-10-12-25(13-11-24)21(26)18-14-17(8-9-19(18)22)29(27,28)23(3)4/h5-9,14H,10-13H2,1-4H3
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n/an/a 1.56E+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))
BDBM68326
PNG
(MLS-0435556.0001 | cid_1143390)
Show SMILES Cc1cc2cc3OCOc3cc2n2c(SCC(=O)Nc3nc(cs3)-c3ccccc3)nnc12
Show InChI InChI=1S/C23H17N5O3S2/c1-13-7-15-8-18-19(31-12-30-18)9-17(15)28-21(13)26-27-23(28)33-11-20(29)25-22-24-16(10-32-22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,24,25,29)
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n/an/a 1.58E+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))
BDBM68322
PNG
(4-(3,5-dimethyl-1-pyrazolyl)-N-[2-methoxy-5-(4-mor...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-n1nc(C)cc1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H26N4O5S/c1-16-14-17(2)27(25-16)19-6-4-18(5-7-19)23(28)24-21-15-20(8-9-22(21)31-3)33(29,30)26-10-12-32-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)
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n/an/a 2.03E+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))
BDBM68317
PNG
(3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-N,N-d...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H29ClN4O3S/c1-25(2)32(30,31)20-8-9-22(27-10-3-4-11-27)21(17-20)23(29)28-14-12-26(13-15-28)19-7-5-6-18(24)16-19/h5-9,16-17H,3-4,10-15H2,1-2H3
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n/an/a 2.71E+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))
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))
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>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 1


(Homo sapiens (human))
BDBM68304
PNG
(MLS-0435530.0001 | N,N-diethyl-4-(4-methyl-1-piper...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C27H38N4O3S/c1-4-31(5-2)35(33,34)24-11-12-26(29-15-13-22(3)14-16-29)25(21-24)27(32)30-19-17-28(18-20-30)23-9-7-6-8-10-23/h6-12,21-22H,4-5,13-20H2,1-3H3
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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 1


(Homo sapiens (human))
BDBM68305
PNG
(2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)t...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5OS2/c1-14-7-9-16(10-8-14)18-12-30-22(24-18)25-21(29)13-31-23-27-26-20-11-15(2)17-5-3-4-6-19(17)28(20)23/h3-12H,13H2,1-2H3,(H,24,25,29)
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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/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68293
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C21H27N3O3S/c1-16-7-5-10-20(17(16)2)23-11-13-24(14-12-23)21(25)18-8-6-9-19(15-18)28(26,27)22(3)4/h5-10,15H,11-14H2,1-4H3
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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 1


(Homo sapiens (human))
BDBM68298
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCc1sc(cc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H24N2O5S2/c1-4-17-13(2)11-18(27-17)19(22)20-15-12-14(5-6-16(15)25-3)28(23,24)21-7-9-26-10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(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/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68299
PNG
(MLS-0435528.0001 | N,N-dimethyl-3-(4-phenylpiperaz...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H30N4O3S/c1-24(2)31(29,30)20-10-11-22(26-12-6-7-13-26)21(18-20)23(28)27-16-14-25(15-17-27)19-8-4-3-5-9-19/h3-5,8-11,18H,6-7,12-17H2,1-2H3
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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 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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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))
BDBM68306
PNG
(3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C24H31ClN4O3S/c1-18-6-7-19(25)16-23(18)28-12-14-29(15-13-28)24(30)21-17-20(33(31,32)26(2)3)8-9-22(21)27-10-4-5-11-27/h6-9,16-17H,4-5,10-15H2,1-3H3
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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))
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))
BDBM68301
PNG
(4-(difluoromethoxy)-N-(2-methoxy-5-morpholin-4-yls...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(OC(F)F)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20F2N2O6S/c1-27-17-7-6-15(30(25,26)23-8-10-28-11-9-23)12-16(17)22-18(24)13-2-4-14(5-3-13)29-19(20)21/h2-7,12,19H,8-11H2,1H3,(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/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))
BDBM68319
PNG
(4-(2-ketopyrrolidino)-N-[5-morpholinosulfonyl-2-(2...)
Show SMILES FC(F)(F)COc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H24F3N3O6S/c24-23(25,26)15-35-20-8-7-18(36(32,33)28-10-12-34-13-11-28)14-19(20)27-22(31)16-3-5-17(6-4-16)29-9-1-2-21(29)30/h3-8,14H,1-2,9-13,15H2,(H,27,31)
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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))
BDBM68296
PNG
(4-chloranyl-N,N-dimethyl-3-[4-(4-nitrophenyl)piper...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O5S/c1-21(2)30(28,29)16-7-8-18(20)17(13-16)19(25)23-11-9-22(10-12-23)14-3-5-15(6-4-14)24(26)27/h3-8,13H,9-12H2,1-2H3
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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))
BDBM68312
PNG
(4-fluoranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21FN2O5S2/c1-13-19-15(22)4-3-5-18(19)30-20(13)21(25)23-16-12-14(6-7-17(16)28-2)31(26,27)24-8-10-29-11-9-24/h3-7,12H,8-11H2,1-2H3,(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
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68328
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
Show InChI InChI=1S/C18H17N5O2S2/c1-10-6-12-7-13(25-3)4-5-14(12)23-16(10)21-22-18(23)27-9-15(24)20-17-19-11(2)8-26-17/h4-8H,9H2,1-3H3,(H,19,20,24)
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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/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68325
PNG
(MLS-0435555.0001 | cid_3190037)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCCOc5cc4n23)n1
Show InChI InChI=1S/C25H21N5O4S2/c1-14-9-16-10-20-21(34-8-7-33-20)11-19(16)30-23(14)28-29-25(30)36-13-22(31)27-24-26-18(12-35-24)15-3-5-17(32-2)6-4-15/h3-6,9-12H,7-8,13H2,1-2H3,(H,26,27,31)
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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))
BDBM68327
PNG
(MLS-0435557.0001 | cid_3190055)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCOc5cc4n23)n1
Show InChI InChI=1S/C24H19N5O4S2/c1-13-7-15-8-19-20(33-12-32-19)9-18(15)29-22(13)27-28-24(29)35-11-21(30)26-23-25-17(10-34-23)14-3-5-16(31-2)6-4-14/h3-10H,11-12H2,1-2H3,(H,25,26,30)
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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))
BDBM68321
PNG
(4-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCc1cc(sc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H24N2O5S2/c1-4-14-11-18(27-13(14)2)19(22)20-16-12-15(5-6-17(16)25-3)28(23,24)21-7-9-26-10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(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))
BDBM68297
PNG
(MLS-0433928.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-19-8-6-11-23(20(19)2)25-14-16-26(17-15-25)24(28)21-9-7-10-22(18-21)31(29,30)27-12-4-3-5-13-27/h6-11,18H,3-5,12-17H2,1-2H3
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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))
BDBM68294
PNG
(4-(2-ketopyrrolidino)-N-(3-morpholinosulfonylpheny...)
Show SMILES O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26)
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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/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68320
PNG
(3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-N,N-d...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C25H34N4O4S/c1-4-33-24-10-6-5-9-23(24)28-15-17-29(18-16-28)25(30)21-19-20(34(31,32)26(2)3)11-12-22(21)27-13-7-8-14-27/h5-6,9-12,19H,4,7-8,13-18H2,1-3H3
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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))
BDBM68310
PNG
(MLS-0435536.0001 | N-(2-isopropoxy-5-morpholinosul...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cc2ccccc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H24N2O5S2/c1-15(2)29-19-8-7-17(31(26,27)24-9-11-28-12-10-24)14-18(19)23-22(25)21-13-16-5-3-4-6-20(16)30-21/h3-8,13-15H,9-12H2,1-2H3,(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
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))
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
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68314
PNG
(MLS-0435540.0001 | [4-(2-methylphenyl)-1-piperazin...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C27H36N4O3S/c1-22-9-3-4-10-25(22)29-17-19-30(20-18-29)27(32)24-21-23(11-12-26(24)28-13-7-8-14-28)35(33,34)31-15-5-2-6-16-31/h3-4,9-12,21H,2,5-8,13-20H2,1H3
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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))
BDBM68330
PNG
(MLS-0435573.0001 | N-(3-morpholin-4-ylsulfonylphen...)
Show SMILES O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C19H22N2O4S2/c22-19(18-12-14-4-1-2-7-17(14)26-18)20-15-5-3-6-16(13-15)27(23,24)21-8-10-25-11-9-21/h3,5-6,12-13H,1-2,4,7-11H2,(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/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
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
* indicates data uncertainty>20%