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PubChem AID 463217

Compile data set for download or QSAR
Found 30 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 35


(Homo sapiens (Human))		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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n/an/a 253n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 522n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 636n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 691n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 1.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 1.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 1.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 1.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 1.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 1.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 1.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 2.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 2.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 2.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 3.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 4.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 4.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 5.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 9.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 9.95E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 1.45E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 1.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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n/an/a 1.77E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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 2.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))		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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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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%