BindingDB logo
myBDB logout

10 similar compounds to monomer 49106

Compile data set for download or QSAR
Wt: 372.4
BDBM37486
Purchase
Wt: 388.4
BDBM40330
Purchase
Wt: 344.4
BDBM50760
Purchase
Wt: 342.4
BDBM65728
Purchase
Wt: 374.4
BDBM65732
Purchase
Wt: 356.4
BDBM65734
Purchase
Wt: 376.8
BDBM65736
Purchase
Wt: 358.4
BDBM65737
Purchase
Wt: 372.4
BDBM67403
Purchase
Wt: 344.4
BDBM50402321

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 37486,40330,50760,65728,65732,65734,65736,65737,67403,50402321   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37486
PNG
(3-methyl-8-(pentylthio)-7-(2-phenylethyl)purine-2,...)
Show SMILES CCCCCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CCc1ccccc1
Show InChI InChI=1S/C19H24N4O2S/c1-3-4-8-13-26-19-20-16-15(17(24)21-18(25)22(16)2)23(19)12-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50402321
PNG
(CHEMBL2206102)
Show SMILES Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)24-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.48E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM50760
PNG
(3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.26E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM65728
PNG
(7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylsulfany...)
Show SMILES C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TD9VS8
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM65732
PNG
(7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...)
Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TD9VS8
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM65734
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-...)
Show SMILES Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.33E+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/Q2TD9VS8
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50760
PNG
(3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TD9VS8
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM65736
PNG
(7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-meth...)
Show SMILES C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.47E+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/Q2TD9VS8
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM65737
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-...)
Show SMILES CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O2S/c1-12(2)22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TD9VS8
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65728
PNG
(7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylsulfany...)
Show SMILES C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JW8CBM
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65732
PNG
(7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...)
Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JW8CBM
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65734
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-...)
Show SMILES Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.48E+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/Q2JW8CBM
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM50760
PNG
(3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JW8CBM
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65736
PNG
(7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-meth...)
Show SMILES C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.37E+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/Q2JW8CBM
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65737
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-...)
Show SMILES CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O2S/c1-12(2)22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.76E+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/Q2JW8CBM
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65728
PNG
(7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylsulfany...)
Show SMILES C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29C6VV1
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65732
PNG
(7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...)
Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29C6VV1
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65734
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-...)
Show SMILES Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.68E+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/Q29C6VV1
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50760
PNG
(3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29C6VV1
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65736
PNG
(7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-meth...)
Show SMILES C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29C6VV1
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65737
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-...)
Show SMILES CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O2S/c1-12(2)22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29C6VV1
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM67403
PNG
(7-butyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-...)
Show SMILES CCCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C19H24N4O2S/c1-3-4-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-8-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM65728
PNG
(7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylsulfany...)
Show SMILES C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.86E+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/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM65732
PNG
(7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...)
Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM65736
PNG
(7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-meth...)
Show SMILES C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM65734
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-...)
Show SMILES Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50760
PNG
(3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM65737
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-...)
Show SMILES CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O2S/c1-12(2)22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67403
PNG
(7-butyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-...)
Show SMILES CCCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C19H24N4O2S/c1-3-4-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-8-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.19E+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/Q2ZS2TX1
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65728
PNG
(7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylsulfany...)
Show SMILES C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZS2TX1
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65732
PNG
(7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...)
Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZS2TX1
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65736
PNG
(7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-meth...)
Show SMILES C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZS2TX1
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65734
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-...)
Show SMILES Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZS2TX1
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM50760
PNG
(3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZS2TX1
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM65737
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-...)
Show SMILES CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O2S/c1-12(2)22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZS2TX1
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67403
PNG
(7-butyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-...)
Show SMILES CCCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C19H24N4O2S/c1-3-4-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-8-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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: 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/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65728
PNG
(7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylsulfany...)
Show SMILES C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65732
PNG
(7-(2-methoxyethyl)-3-methyl-8-(3-phenylpropylsulfa...)
Show SMILES COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O3S/c1-21-15-14(16(23)20-17(21)24)22(10-11-25-2)18(19-15)26-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65736
PNG
(7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-meth...)
Show SMILES C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65734
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-...)
Show SMILES Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50760
PNG
(3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM65737
PNG
(3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-...)
Show SMILES CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H22N4O2S/c1-12(2)22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V1237V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM65736
PNG
(7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-meth...)
Show SMILES C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.20E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50402321
PNG
(CHEMBL2206102)
Show SMILES Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2S/c1-19-13-14(20(2)17(23)21(3)15(13)22)18-16(19)24-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after...


Bioorg Med Chem 20: 7040-50 (2012)


Article DOI: 10.1016/j.bmc.2012.10.005
BindingDB Entry DOI: 10.7270/Q2QZ2C4W
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM40330
PNG
(7-(2-Ethoxy-ethyl)-3-methyl-8-(3-phenyl-propylsulf...)
Show SMILES CCOCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C19H24N4O3S/c1-3-26-12-11-23-15-16(22(2)18(25)21-17(15)24)20-19(23)27-13-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,21,24,25)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BC3WZZ
More data for this
Ligand-Target Pair