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BDBM58858 (E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one::(E)-3-(2-methylphenyl)-1-(5-nitro-2-furanyl)-2-propen-1-one::(E)-3-(2-methylphenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one::MLS001241003::SMR000841202::cid_6054677

SMILES: Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O

InChI Key: InChIKey=VDSCLTOCMXBRKP-VOTSOKGWSA-N

Data: 2 IC50  3 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 = 58858   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58858
PNG
((E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one...)
Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 5.09E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58858
PNG
((E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one...)
Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.36E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM58858
PNG
((E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one...)
Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.50E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM58858
PNG
((E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one...)
Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.76E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
BDBM58858
PNG
((E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one...)
Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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