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BDBM76715 (5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-imidazolidinone::(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxoimidazolidin-4-one::(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-4-imidazolidinone::(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one::(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one::MLS001196658::SMR000556071::cid_698849

SMILES: [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O

InChI Key: InChIKey=ZDGTXXGIYGXFDX-UHFFFAOYSA-N

Data: 7 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 76715   
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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.41E+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
Caspase-3


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/a 2.76E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.01E+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 (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
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>8.00E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.85E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.43E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
PCBioAssay
n/an/a 1.29E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM76715
PNG
((5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2...)
Show SMILES [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
Show InChI InChI=1S/C11H5N3O5S/c15-10-6(12-11(20)13-10)1-5-2-8-9(19-4-18-8)3-7(5)14(16)17/h1-3H,4H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.79E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2765CSM
More data for this
Ligand-Target Pair