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8 similar compounds to monomer 68314

Compile data set for download or QSAR
Wt: 470.6
BDBM61095
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Wt: 441.5
BDBM68297
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Wt: 442.5
BDBM68299
Wt: 498.6
BDBM68304
Wt: 491.0
BDBM68306
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Wt: 484.6
BDBM68307
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Wt: 477.0
BDBM68317
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Wt: 458.5
BDBM95837
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 61095,68297,68299,68304,68306,68307,68317,95837   
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))
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

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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
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
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

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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))
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

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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))
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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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))
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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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

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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))
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

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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))
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, 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))
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

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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) 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))
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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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))
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

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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))
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

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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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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))
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

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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))
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))
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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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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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))
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))
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))
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) 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))
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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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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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))
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))
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))
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))
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))
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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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))
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))
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
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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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