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BDBM51082 2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butylidene)-5-[[5-(3-nitrophenyl)-2-furyl]methylene]thiazolidin-3-yl]-N-propyl-acetamide::2-[2-(3,3-dimethyl-2-oxidanylidene-butylidene)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxidanylidene-1,3-thiazolidin-3-yl]-N-propyl-ethanamide::2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-4-oxo-3-thiazolidinyl]-N-propylacetamide::2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propylacetamide::2-[4-keto-2-(2-keto-3,3-dimethyl-butylidene)-5-[[5-(3-nitrophenyl)-2-furyl]methylene]thiazolidin-3-yl]-N-propyl-acetamide::MLS000335394::SMR000250152::cid_4216653

SMILES: CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O

InChI Key: InChIKey=OUOSMUMRWCABEA-OBUBVWICSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 51082   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51082
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-11-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-9-10-19(34-18)16-7-6-8-17(12-16)28(32)33/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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n/an/a 1.03E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

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
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM51082
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-11-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-9-10-19(34-18)16-7-6-8-17(12-16)28(32)33/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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n/an/an/an/a>9.90E+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/Q2Z31X54
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM51082
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-11-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-9-10-19(34-18)16-7-6-8-17(12-16)28(32)33/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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n/an/an/an/a>9.90E+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/Q2Z31X54
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM51082
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-11-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-9-10-19(34-18)16-7-6-8-17(12-16)28(32)33/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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n/an/an/an/a>9.90E+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/Q2TB15DB
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM51082
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-11-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-9-10-19(34-18)16-7-6-8-17(12-16)28(32)33/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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UniChem

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n/an/an/an/a>9.90E+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/Q2TB15DB
More data for this
Ligand-Target Pair