BindingDB logo
myBDB logout

1 similar compounds to monomer 46401

Compile data set for download or QSAR
Wt: 360.3
BDBM62277

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 62277   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.23E+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/Q2Z899VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 414n/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/Q2PR7TDC
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.56E+3n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.04E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.28E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.03E+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/Q27H1H10
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.25E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair