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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 35' and Ligand = 'BDBM61632'   
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))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F |w:10.11|
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
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 |w:10.11|
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
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)


Article DOI: 10.1111/cbdd.12336
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 |w:10.11|
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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 |w:10.11|
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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)

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 |w:10.11|
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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 |w:10.11|
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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)

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 |w:10.11|
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair