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BDBM57045 MLS000028500::NITROFURANTOIN::SMR000058271::cid_4509

SMILES: [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1

InChI Key: InChIKey=NXFQHRVNIOXGAQ-YCRREMRBSA-N

Data: 1 KI  3 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 = 57045   
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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM57045
PNG
(MLS000028500 | NITROFURANTOIN | SMR000058271 | cid...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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KEGG
PC cid
PC sid
UniChem

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Similars

PubMed
816n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)

More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM57045
PNG
(MLS000028500 | NITROFURANTOIN | SMR000058271 | cid...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)

More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM57045
PNG
(MLS000028500 | NITROFURANTOIN | SMR000058271 | cid...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57045
PNG
(MLS000028500 | NITROFURANTOIN | SMR000058271 | cid...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/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)

More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM57045
PNG
(MLS000028500 | NITROFURANTOIN | SMR000058271 | cid...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...


Drug Metab Dispos 40: 130-8 (2011)

More data for this
Ligand-Target Pair