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9 similar compounds to monomer 68304

Compile data set for download or QSAR
Wt: 487.5
BDBM61094
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Wt: 470.6
BDBM61095
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Wt: 442.5
BDBM68299
Wt: 491.0
BDBM68306
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Wt: 484.6
BDBM68307
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Wt: 496.6
BDBM68314
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Wt: 477.0
BDBM68317
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Wt: 536.6
BDBM89422
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Wt: 458.5
BDBM95837
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 61094,61095,68299,68306,68307,68314,68317,89422,95837   
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))
BDBM61094
PNG
(MLS000760658 | N,N-dimethyl-3-[4-(4-nitrophenyl)pi...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O5S/c1-24(2)34(32,33)20-9-10-22(26-11-3-4-12-26)21(17-20)23(29)27-15-13-25(14-16-27)18-5-7-19(8-6-18)28(30)31/h5-10,17H,3-4,11-16H2,1-2H3
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n/an/an/an/a 689n/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
methionyl-tRNA synthetase


(Trypanosoma brucei brucei strain 927/4 GUTat10.1)
BDBM95837
PNG
(5-(dimethylsulfamoyl)-N-[2-keto-2-(p-toluidino)eth...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C23H30N4O4S/c1-17-7-9-18(10-8-17)24-22(28)16-26(4)23(29)20-15-19(32(30,31)25(2)3)11-12-21(20)27-13-5-6-14-27/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,28)
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n/an/a 4.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2XP73JZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61094
PNG
(MLS000760658 | N,N-dimethyl-3-[4-(4-nitrophenyl)pi...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O5S/c1-24(2)34(32,33)20-9-10-22(26-11-3-4-12-26)21(17-20)23(29)27-15-13-25(14-16-27)18-5-7-19(8-6-18)28(30)31/h5-10,17H,3-4,11-16H2,1-2H3
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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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61095
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
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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))
BDBM61094
PNG
(MLS000760658 | N,N-dimethyl-3-[4-(4-nitrophenyl)pi...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O5S/c1-24(2)34(32,33)20-9-10-22(26-11-3-4-12-26)21(17-20)23(29)27-15-13-25(14-16-27)18-5-7-19(8-6-18)28(30)31/h5-10,17H,3-4,11-16H2,1-2H3
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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/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM61095
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
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n/an/a 1.51E+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))
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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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))
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/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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>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))
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/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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>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
G-protein coupled receptor 35


(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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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))
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) 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))
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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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))
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

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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))
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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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))
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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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))
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/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(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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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))
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/Q24B2ZRH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(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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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))
BDBM61094
PNG
(MLS000760658 | N,N-dimethyl-3-[4-(4-nitrophenyl)pi...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O5S/c1-24(2)34(32,33)20-9-10-22(26-11-3-4-12-26)21(17-20)23(29)27-15-13-25(14-16-27)18-5-7-19(8-6-18)28(30)31/h5-10,17H,3-4,11-16H2,1-2H3
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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) Net...


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM61095
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
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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))
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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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))
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) Net...


PubChem Bioassay (2010)


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


(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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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))
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) Net...


PubChem Bioassay (2010)


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


(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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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))
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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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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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))
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))
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))
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
Zinc finger protein GLI1


(Mus musculus)
BDBM89422
PNG
(5-(diethylsulfamoyl)-N-[2-(2,6-difluoroanilino)-2-...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(ccc1N1CCCCC1)S(=O)(=O)N(CC)CC
Show InChI InChI=1S/C26H34F2N4O4S/c1-4-30(18-24(33)29-25-21(27)11-10-12-22(25)28)26(34)20-17-19(37(35,36)32(5-2)6-3)13-14-23(20)31-15-8-7-9-16-31/h10-14,17H,4-9,15-16,18H2,1-3H3,(H,29,33)
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n/an/a 1.22E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM89422
PNG
(5-(diethylsulfamoyl)-N-[2-(2,6-difluoroanilino)-2-...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(ccc1N1CCCCC1)S(=O)(=O)N(CC)CC
Show InChI InChI=1S/C26H34F2N4O4S/c1-4-30(18-24(33)29-25-21(27)11-10-12-22(25)28)26(34)20-17-19(37(35,36)32(5-2)6-3)13-14-23(20)31-15-8-7-9-16-31/h10-14,17H,4-9,15-16,18H2,1-3H3,(H,29,33)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61095
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
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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