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8 similar compounds to monomer 75859

Compile data set for download or QSAR
Wt: 353.3
BDBM61631
Wt: 395.4
BDBM61632
Wt: 379.4
BDBM75860
Wt: 413.8
BDBM75861
Wt: 351.8
BDBM75867
Wt: 337.7
BDBM75868
Wt: 413.8
BDBM75869
Wt: 303.3
BDBM75870

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 61631,61632,75860,75861,75867,75868,75869,75870   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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Article
PubMed
42n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75860
PNG
(1-phenyl-5-[(E)-(phenylthiocarbamoylhydrazono)meth...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N5O2S/c1-26-18(25)16-12-21-24(15-10-6-3-7-11-15)17(16)13-20-23-19(27)22-14-8-4-2-5-9-14/h2-13H,1H3,(H2,22,23,27)
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n/an/a 1.01E+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/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75861
PNG
(5-[(E)-[(4-chlorophenyl)thiocarbamoylhydrazono]met...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-5-3-2-4-6-15)17(16)12-21-24-19(28)23-14-9-7-13(20)8-10-14/h2-12H,1H3,(H2,23,24,28)
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n/an/a 319n/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/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61631
PNG
(1-(2,4-difluorophenyl)-5-[(E)-(methylthiocarbamoyl...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC
Show InChI InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)
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n/an/a 2.49E+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/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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n/an/a 160n/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/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75867
PNG
(1-(4-chlorophenyl)-5-[(E)-(methylthiocarbamoylhydr...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)OC
Show InChI InChI=1S/C14H14ClN5O2S/c1-16-14(23)19-17-8-12-11(13(21)22-2)7-18-20(12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,16,19,23)
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n/an/a 1.25E+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/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75868
PNG
(1-(4-chlorophenyl)-5-[(E)-(thiocarbamoylhydrazono)...)
Show SMILES COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H12ClN5O2S/c1-21-12(20)10-6-17-19(9-4-2-8(14)3-5-9)11(10)7-16-18-13(15)22/h2-7H,1H3,(H3,15,18,22)
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n/an/a 4.60E+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/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75869
PNG
(1-(4-chlorophenyl)-5-[(E)-(phenylthiocarbamoylhydr...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-9-7-13(20)8-10-15)17(16)12-21-24-19(28)23-14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,28)
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n/an/a 211n/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/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75870
PNG
(1-phenyl-5-[(E)-(thiocarbamoylhydrazono)methyl]pyr...)
Show SMILES COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccccc1
Show InChI InChI=1S/C13H13N5O2S/c1-20-12(19)10-7-16-18(9-5-3-2-4-6-9)11(10)8-15-17-13(14)21/h2-8H,1H3,(H3,14,17,21)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VM49RP
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75860
PNG
(1-phenyl-5-[(E)-(phenylthiocarbamoylhydrazono)meth...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N5O2S/c1-26-18(25)16-12-21-24(15-10-6-3-7-11-15)17(16)13-20-23-19(27)22-14-8-4-2-5-9-14/h2-13H,1H3,(H2,22,23,27)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75861
PNG
(5-[(E)-[(4-chlorophenyl)thiocarbamoylhydrazono]met...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-5-3-2-4-6-15)17(16)12-21-24-19(28)23-14-9-7-13(20)8-10-14/h2-12H,1H3,(H2,23,24,28)
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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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61631
PNG
(1-(2,4-difluorophenyl)-5-[(E)-(methylthiocarbamoyl...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC
Show InChI InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)
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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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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n/an/a 9.08E+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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75867
PNG
(1-(4-chlorophenyl)-5-[(E)-(methylthiocarbamoylhydr...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)OC
Show InChI InChI=1S/C14H14ClN5O2S/c1-16-14(23)19-17-8-12-11(13(21)22-2)7-18-20(12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,16,19,23)
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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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75868
PNG
(1-(4-chlorophenyl)-5-[(E)-(thiocarbamoylhydrazono)...)
Show SMILES COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H12ClN5O2S/c1-21-12(20)10-6-17-19(9-4-2-8(14)3-5-9)11(10)7-16-18-13(15)22/h2-7H,1H3,(H3,15,18,22)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75869
PNG
(1-(4-chlorophenyl)-5-[(E)-(phenylthiocarbamoylhydr...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-9-7-13(20)8-10-15)17(16)12-21-24-19(28)23-14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,28)
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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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75870
PNG
(1-phenyl-5-[(E)-(thiocarbamoylhydrazono)methyl]pyr...)
Show SMILES COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccccc1
Show InChI InChI=1S/C13H13N5O2S/c1-20-12(19)10-7-16-18(9-5-3-2-4-6-9)11(10)8-15-17-13(14)21/h2-8H,1H3,(H3,14,17,21)
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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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61631
PNG
(1-(2,4-difluorophenyl)-5-[(E)-(methylthiocarbamoyl...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC
Show InChI InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)
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n/an/a 2.29E+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/Q2G15Z9T
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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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/Q2G15Z9T
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75867
PNG
(1-(4-chlorophenyl)-5-[(E)-(methylthiocarbamoylhydr...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)OC
Show InChI InChI=1S/C14H14ClN5O2S/c1-16-14(23)19-17-8-12-11(13(21)22-2)7-18-20(12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,16,19,23)
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n/an/a 4.11E+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/Q2G15Z9T
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75869
PNG
(1-(4-chlorophenyl)-5-[(E)-(phenylthiocarbamoylhydr...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-9-7-13(20)8-10-15)17(16)12-21-24-19(28)23-14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,28)
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n/an/a 2.18E+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/Q2G15Z9T
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR35 expressed in human HT29 cells after 1 hr by DMR assay


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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n/an/a 200n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-VP16 fused GPR35 expressed in human U2OS cells assessed as beta arrestin translocation by reporter gene assay


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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n/an/a 574n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment...


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61631
PNG
(1-(2,4-difluorophenyl)-5-[(E)-(methylthiocarbamoyl...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC
Show InChI InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)
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n/an/a 1.11E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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n/an/a 500n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair