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PubChem AID 2397

Compile data set for download or QSAR
Found 60 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
G-protein coupled receptor 55


(Homo sapiens)
BDBM237
PNG
(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1
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n/an/a 462n/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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61635
PNG
(2,5-dimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)...)
Show SMILES Cc1[nH]c2ccc(C)cc2c1\C=C\c1cc[n+](C)cc1
Show InChI InChI=1S/C18H18N2/c1-13-4-7-18-17(12-13)16(14(2)19-18)6-5-15-8-10-20(3)11-9-15/h4-12H,1-3H3/p+1
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n/an/a 1.57E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/a 2.79E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64836
PNG
(5-chloranyl-1-methyl-3-[(E)-2-(1-methylpyridin-1-i...)
Show SMILES Cn1cc(\C=C\c2cc[n+](C)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H16ClN2/c1-19-9-7-13(8-10-19)3-4-14-12-20(2)17-6-5-15(18)11-16(14)17/h3-12H,1-2H3/q+1
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n/an/a 3.42E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64819
PNG
(MLS-0359029.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES CC1CCCCN1c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Show InChI InChI=1S/C22H24N4O3S/c1-13-5-3-4-8-26(13)20-18-14(2)19(30-22(18)24-12-23-20)21(27)25-15-6-7-16-17(11-15)29-10-9-28-16/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,25,27)
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n/an/a 4.95E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM57757
PNG
(2,5-dimethyl-4-(4-methyl-1-piperidinyl)-N-[2-(trif...)
Show SMILES CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c12
Show InChI InChI=1S/C22H23F3N4OS/c1-12-8-10-29(11-9-12)19-17-13(2)18(31-21(17)27-14(3)26-19)20(30)28-16-7-5-4-6-15(16)22(23,24)25/h4-7,12H,8-11H2,1-3H3,(H,28,30)
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n/an/a 6.95E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61643
PNG
(4-[[2-[(2-cumidino-2-keto-ethyl)thio]-4-keto-thien...)
Show SMILES CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C25H23N3O4S2/c1-15(2)17-7-9-19(10-8-17)26-21(29)14-34-25-27-20-11-12-33-22(20)23(30)28(25)13-16-3-5-18(6-4-16)24(31)32/h3-12,15H,13-14H2,1-2H3,(H,26,29)(H,31,32)
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n/an/a 1.17E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64811
PNG
(2-[4-morpholinyl(oxo)methyl]-N-[2-(phenylmethylthi...)
Show SMILES O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
Show InChI InChI=1S/C26H23N3O3S2/c30-24(20-8-4-5-9-21(20)25(31)29-12-14-32-15-13-29)27-19-10-11-22-23(16-19)34-26(28-22)33-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30)
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n/an/a 1.23E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61648
PNG
(4-[4-[(5Z)-2,4-bis(oxidanylidene)-5-[(E)-3-phenylp...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C/C=C/c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H20N2O5S/c26-20(24-18-13-11-17(12-14-18)22(28)29)10-5-15-25-21(27)19(31-23(25)30)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H,28,29)/b8-4+,19-9-
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n/an/a 1.29E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64817
PNG
(4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-y...)
Show SMILES CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C25H22ClN3O4S2/c1-3-20(22(30)27-17-9-4-14(2)18(26)12-17)35-25-28-19-10-11-34-21(19)23(31)29(25)13-15-5-7-16(8-6-15)24(32)33/h4-12,20H,3,13H2,1-2H3,(H,27,30)(H,32,33)
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n/an/a 1.49E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM58651
PNG
(4-[4-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-...)
Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C23H22N2O4S2/c1-2-15-5-7-16(8-6-15)14-19-21(27)25(23(30)31-19)13-3-4-20(26)24-18-11-9-17(10-12-18)22(28)29/h5-12,14H,2-4,13H2,1H3,(H,24,26)(H,28,29)/b19-14-
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n/an/a 1.73E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM45060
PNG
(4-({4-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-4-...)
Show SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C24H22N2O4S2/c1-16(14-17-6-3-2-4-7-17)15-20-22(28)26(24(31)32-20)13-5-8-21(27)25-19-11-9-18(10-12-19)23(29)30/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,27)(H,29,30)/b16-14+,20-15-
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n/an/a 1.79E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61649
PNG
(4-[4-[(5E)-2,4-bis(oxidanylidene)-5-[(E)-3-phenylp...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\C=C\c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H20N2O5S/c26-20(24-18-13-11-17(12-14-18)22(28)29)10-5-15-25-21(27)19(31-23(25)30)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H,28,29)/b8-4+,19-9+
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n/an/a 1.99E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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n/an/a 2.00E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64820
PNG
(MLS-0435428.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Show InChI InChI=1S/C22H24N4O3S/c1-13-5-7-26(8-6-13)20-18-14(2)19(30-22(18)24-12-23-20)21(27)25-15-3-4-16-17(11-15)29-10-9-28-16/h3-4,11-13H,5-10H2,1-2H3,(H,25,27)
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n/an/a 2.14E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50185
PNG
(2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-y...)
Show SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-
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n/an/a 2.17E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61645
PNG
(3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...)
Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1
Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+
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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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64824
PNG
(1-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)pyrazol...)
Show SMILES C(c1ccccc1)n1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H22N6/c1-3-7-18(8-4-1)16-28-22-20(15-25-28)21(23-17-24-22)27-13-11-26(12-14-27)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2
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n/an/a 2.91E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64823
PNG
(1-(4-chlorobenzyl)-4-(4-phenylpiperazino)pyrazolo[...)
Show SMILES Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H21ClN6/c23-18-8-6-17(7-9-18)15-29-22-20(14-26-29)21(24-16-25-22)28-12-10-27(11-13-28)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
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n/an/a 2.93E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64812
PNG
(MLS-0352560.0001 | N-(4-hydroxyphenyl)-4-[(5E)-4-k...)
Show SMILES Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1
Show InChI InChI=1S/C18H16N2O3S3/c21-13-7-5-12(6-8-13)19-16(22)4-1-9-20-17(23)15(26-18(20)24)11-14-3-2-10-25-14/h2-3,5-8,10-11,21H,1,4,9H2,(H,19,22)/b15-11+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64807
PNG
(MLS-0353630.0001 | N-(4-hydroxyphenyl)-4-[(5Z)-4-k...)
Show SMILES Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1
Show InChI InChI=1S/C18H16N2O3S3/c21-13-7-5-12(6-8-13)19-16(22)4-1-9-20-17(23)15(26-18(20)24)11-14-3-2-10-25-14/h2-3,5-8,10-11,21H,1,4,9H2,(H,19,22)/b15-11-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61651
PNG
(3-(4-tert-butylphenoxy)-N-[2-(4-sulfamoylphenyl)et...)
Show SMILES CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C21H28N2O4S/c1-21(2,3)17-6-8-18(9-7-17)27-15-13-20(24)23-14-12-16-4-10-19(11-5-16)28(22,25)26/h4-11H,12-15H2,1-3H3,(H,23,24)(H2,22,25,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64818
PNG
(4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfany...)
Show SMILES CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClN3O4S2/c1-2-19(21(29)26-17-9-7-16(25)8-10-17)34-24-27-18-11-12-33-20(18)22(30)28(24)13-14-3-5-15(6-4-14)23(31)32/h3-12,19H,2,13H2,1H3,(H,26,29)(H,31,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64827
PNG
(4-[(5Z)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]...)
Show SMILES Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C20H18N2O3S2/c23-16-10-8-15(9-11-16)21-18(24)7-4-12-22-19(25)17(27-20(22)26)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,23H,4,7,12H2,(H,21,24)/b17-13-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64835
PNG
(3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)et...)
Show SMILES Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C19H24N2O4S/c1-14-3-4-15(2)18(13-14)25-12-10-19(22)21-11-9-16-5-7-17(8-6-16)26(20,23)24/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H2,20,23,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64805
PNG
(2-(4-methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazo...)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-6-4-10(5-7-12)13-16-17-14(19-13)11-3-2-8-15-9-11/h2-9H,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64813
PNG
(MLS-0435423.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N3O4S/c1-8-12-14(20)17-7-18-16(12)24-13(8)15(21)19-9-2-3-10-11(6-9)23-5-4-22-10/h2-3,6-7H,4-5H2,1H3,(H,19,21)(H,17,18,20)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64830
PNG
(3-(4-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]...)
Show SMILES Cc1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N2O4S/c1-14-2-6-16(7-3-14)24-13-11-18(21)20-12-10-15-4-8-17(9-5-15)25(19,22)23/h2-9H,10-13H2,1H3,(H,20,21)(H2,19,22,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64826
PNG
(MLS-0304362.0001 | N-(4-hydroxyphenyl)-4-[(5Z)-4-k...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O4S2/c1-27-17-10-4-14(5-11-17)13-18-20(26)23(21(28)29-18)12-2-3-19(25)22-15-6-8-16(24)9-7-15/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64834
PNG
(1-(4-chlorobenzyl)-4-[4-(3-chlorophenyl)piperazino...)
Show SMILES Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H20Cl2N6/c23-17-6-4-16(5-7-17)14-30-22-20(13-27-30)21(25-15-26-22)29-10-8-28(9-11-29)19-3-1-2-18(24)12-19/h1-7,12-13,15H,8-11,14H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64822
PNG
(1-(4-methylbenzyl)-4-[4-(p-tolyl)piperazino]pyrazo...)
Show SMILES Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H26N6/c1-18-3-7-20(8-4-18)16-30-24-22(15-27-30)23(25-17-26-24)29-13-11-28(12-14-29)21-9-5-19(2)6-10-21/h3-10,15,17H,11-14,16H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64809
PNG
(4-[4-[(5Z)-5-benzal-4-keto-2-thioxo-thiazolidin-3-...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H22N2O4S2/c1-2-29-22(28)17-10-12-18(13-11-17)24-20(26)9-6-14-25-21(27)19(31-23(25)30)15-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,24,26)/b19-15-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64829
PNG
(2-hydroxy-4-[4-[(5Z)-4-keto-5-piperonylidene-2-thi...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
Show InChI InChI=1S/C22H18N2O7S2/c25-15-10-13(4-5-14(15)21(28)29)23-19(26)2-1-7-24-20(27)18(33-22(24)32)9-12-3-6-16-17(8-12)31-11-30-16/h3-6,8-10,25H,1-2,7,11H2,(H,23,26)(H,28,29)/b18-9-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64825
PNG
(1-(2-chlorobenzyl)-4-(4-phenylpiperazino)pyrazolo[...)
Show SMILES Clc1ccccc1Cn1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H21ClN6/c23-20-9-5-4-6-17(20)15-29-22-19(14-26-29)21(24-16-25-22)28-12-10-27(11-13-28)18-7-2-1-3-8-18/h1-9,14,16H,10-13,15H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61656
PNG
(4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1
Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61655
PNG
(4-[4-[(5Z)-4-keto-5-m-anisylidene-2-thioxo-thiazol...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C22H20N2O5S2/c1-29-17-5-2-4-14(12-17)13-18-20(26)24(22(30)31-18)11-3-6-19(25)23-16-9-7-15(8-10-16)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-13-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64833
PNG
(2-(6-chloranylpyridin-3-yl)-5-[4-(2-methylpropoxy)...)
Show SMILES CC(C)COc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C17H16ClN3O2/c1-11(2)10-22-14-6-3-12(4-7-14)16-20-21-17(23-16)13-5-8-15(18)19-9-13/h3-9,11H,10H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64806
PNG
(MLS-0310259.0001 | N-(4-hydroxyphenyl)-4-[(5E)-4-k...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O4S2/c1-27-17-10-4-14(5-11-17)13-18-20(26)23(21(28)29-18)12-2-3-19(25)22-15-6-8-16(24)9-7-15/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61654
PNG
(3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64821
PNG
(MLS-0244945.0001 | N-(3-fluoranyl-4-methyl-phenyl)...)
Show SMILES CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12
Show InChI InChI=1S/C22H25FN4OS/c1-12-7-9-27(10-8-12)20-18-14(3)19(29-22(18)25-15(4)24-20)21(28)26-16-6-5-13(2)17(23)11-16/h5-6,11-12H,7-10H2,1-4H3,(H,26,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64828
PNG
(2-hydroxy-4-[4-[(5Z)-4-keto-2-thioxo-5-veratrylide...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H22N2O7S2/c1-31-17-8-5-13(10-18(17)32-2)11-19-21(28)25(23(33)34-19)9-3-4-20(27)24-14-6-7-15(22(29)30)16(26)12-14/h5-8,10-12,26H,3-4,9H2,1-2H3,(H,24,27)(H,29,30)/b19-11-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64832
PNG
(3-(2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]...)
Show SMILES Cc1ccccc1OCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N2O4S/c1-14-4-2-3-5-17(14)24-13-11-18(21)20-12-10-15-6-8-16(9-7-15)25(19,22)23/h2-9H,10-13H2,1H3,(H,20,21)(H2,19,22,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61603
PNG
(1-(4-chlorobenzyl)-4-[4-(2-methylphenyl)-1-piperaz...)
Show SMILES Cc1ccccc1N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12
Show InChI InChI=1S/C23H23ClN6/c1-17-4-2-3-5-21(17)28-10-12-29(13-11-28)22-20-14-27-30(23(20)26-16-25-22)15-18-6-8-19(24)9-7-18/h2-9,14,16H,10-13,15H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64808
PNG
(2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,...)
Show SMILES COC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1
Show InChI InChI=1S/C22H21N3O5S2/c1-29-19(26)13-31-22-24-17-7-6-14(12-18(17)32-22)23-20(27)15-4-2-3-5-16(15)21(28)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61153
PNG
(3-[4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O4S2/c1-14-7-9-15(10-8-14)12-18-20(26)24(22(29)30-18)11-3-6-19(25)23-17-5-2-4-16(13-17)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-12-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64814
PNG
(MLS-0435424.0001 | N-(4-ethylphenyl)-2-[(4-keto-3-...)
Show SMILES CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-16-4-8-18(9-5-16)25-21(28)15-32-24-26-20-12-13-31-22(20)23(29)27(24)14-17-6-10-19(30-2)11-7-17/h4-13H,3,14-15H2,1-2H3,(H,25,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64815
PNG
(MLS-0435425.0001 | N-(3,4-dimethylphenyl)-2-[(4-ke...)
Show SMILES COc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-15-4-7-18(12-16(15)2)25-21(28)14-32-24-26-20-10-11-31-22(20)23(29)27(24)13-17-5-8-19(30-3)9-6-17/h4-12H,13-14H2,1-3H3,(H,25,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61646
PNG
(4-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(26)27)7-4-12-23-19(25)17(29-21(23)28)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,26,27)/b17-13+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61647
PNG
(MLS001030592 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Show InChI InChI=1S/C23H26N4O3S/c1-13-6-8-27(9-7-13)21-19-14(2)20(31-23(19)25-15(3)24-21)22(28)26-16-4-5-17-18(12-16)30-11-10-29-17/h4-5,12-13H,6-11H2,1-3H3,(H,26,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61626
PNG
(MLS000777252 | N-(4-Hydroxy-phenyl)-4-{4-oxo-2-thi...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O3S2/c1-14-4-6-15(7-5-14)13-18-20(26)23(21(27)28-18)12-2-3-19(25)22-16-8-10-17(24)11-9-16/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64810
PNG
(4-[4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)cc1
Show InChI InChI=1S/C24H24N2O4S2/c1-3-30-23(29)18-10-12-19(13-11-18)25-21(27)5-4-14-26-22(28)20(32-24(26)31)15-17-8-6-16(2)7-9-17/h6-13,15H,3-5,14H2,1-2H3,(H,25,27)/b20-15-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61653
PNG
(3-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)c1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-4-1-3-14(11-15)21(27)28)5-2-8-24-20(26)18(32-22(24)31)10-13-6-7-16-17(9-13)30-12-29-16/h1,3-4,6-7,9-11H,2,5,8,12H2,(H,23,25)(H,27,28)/b18-10-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM40889
PNG
(1-(4-methylbenzyl)-4-[4-(2-methylphenyl)-1-piperaz...)
Show SMILES Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C24H26N6/c1-18-7-9-20(10-8-18)16-30-24-21(15-27-30)23(25-17-26-24)29-13-11-28(12-14-29)22-6-4-3-5-19(22)2/h3-10,15,17H,11-14,16H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64804
PNG
(4-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]...)
Show SMILES Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C20H18N2O3S2/c23-16-10-8-15(9-11-16)21-18(24)7-4-12-22-19(25)17(27-20(22)26)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,23H,4,7,12H2,(H,21,24)/b17-13+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64803
PNG
(2-bromanyl-N-[2-[(3,4-dichlorophenyl)methylsulfany...)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Br)cc3s2)cc1Cl
Show InChI InChI=1S/C21H13BrCl2N2OS2/c22-15-4-2-1-3-14(15)20(27)25-13-6-8-18-19(10-13)29-21(26-18)28-11-12-5-7-16(23)17(24)9-12/h1-10H,11H2,(H,25,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64837
PNG
(MLS-0435410.0001 | cid_44620974 | perchloric acid;...)
Show SMILES c1ccc(cc1)-c1n[n+](c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N2S/c1-4-10-16(11-5-1)19-21-22(18-14-8-3-9-15-18)20(23-19)17-12-6-2-7-13-17/h1-15H/q+1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61609
PNG
(MLS000544709 | N-[2-[(4-chlorobenzyl)thio]-1,3-ben...)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
Show InChI InChI=1S/C26H22ClN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64816
PNG
(4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-o...)
Show SMILES CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H21N3O5S2/c1-2-32-18-9-7-17(8-10-18)25-20(28)14-34-24-26-19-11-12-33-21(19)22(29)27(24)13-15-3-5-16(6-4-15)23(30)31/h3-12H,2,13-14H2,1H3,(H,25,28)(H,30,31)
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PC cid
PC sid
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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM64831
PNG
(1-(2,4-dichlorobenzyl)-4-[4-(4-fluorophenyl)pipera...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3Cl)ncc12
Show InChI InChI=1S/C22H19Cl2FN6/c23-16-2-1-15(20(24)11-16)13-31-22-19(12-28-31)21(26-14-27-22)30-9-7-29(8-10-30)18-5-3-17(25)4-6-18/h1-6,11-12,14H,7-10,13H2
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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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%