BindingDB logo
myBDB logout

1 similar compounds to monomer 59002

Compile data set for download or QSAR
Wt: 331.4
BDBM54828
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 54828   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54828
PNG
(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Show InChI InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.24E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54828
PNG
(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Show InChI InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.62E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM54828
PNG
(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Show InChI InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM54828
PNG
(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Show InChI InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.78E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM54828
PNG
(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Show InChI InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM54828
PNG
(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Show InChI InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair