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BDBM49921 MLS000708257::N-(2-furanylmethyl)-5-nitro-2-furancarboxamide::N-(2-furfuryl)-5-nitro-2-furamide::N-(furan-2-ylmethyl)-5-nitro-furan-2-carboxamide::N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide::SMR000287724::cid_694001

SMILES: [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1

InChI Key: InChIKey=ZGMGSSRLZJYOKH-UHFFFAOYSA-N

Data: 4 IC50  1 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 = 49921   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49921
PNG
(MLS000708257 | N-(2-furanylmethyl)-5-nitro-2-furan...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
Show InChI InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 6.89E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM49921
PNG
(MLS000708257 | N-(2-furanylmethyl)-5-nitro-2-furan...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
Show InChI InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.46E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
Uridine 5'-diphosphate-galactopyranose mutase (UGM)


(Mycobacterium tuberculosis H37Rv)
BDBM49921
PNG
(MLS000708257 | N-(2-furanylmethyl)-5-nitro-2-furan...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
Show InChI InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
PDB

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Article
PubMed
n/an/a 2.45E+5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis UDP-galactose mutase expressed in Escherichia coli UDP-6 [3H]- Galf


J Med Chem 47: 5276-83 (2004)


Article DOI: 10.1021/jm049972y
BindingDB Entry DOI: 10.7270/Q2VH5RMM
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM49921
PNG
(MLS000708257 | N-(2-furanylmethyl)-5-nitro-2-furan...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
Show InChI InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PCBioAssay
n/an/a 1.13E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM49921
PNG
(MLS000708257 | N-(2-furanylmethyl)-5-nitro-2-furan...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
Show InChI InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair