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BDBM50375309 BAY-5360::Flagyl::Flagyl 375::Flagyl ER::Flagyl i.v. rtu in plastic container::METRONIDAZOLE::Metric 21::Metro IV::Metro i.v.::MetroGel::Metrocream::Metrogel-vaginal::Metrolotion::Metrolyl::Metromidol

SMILES: Cc1ncc(n1CCO)[N+]([O-])=O

InChI Key: InChIKey=VAOCPAMSLUNLGC-UHFFFAOYSA-N

Data: 1 KI  6 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50375309   
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
Thioredoxin reductase


(Entamoeba histolytica)
BDBM50375309
PNG
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)
Show SMILES Cc1ncc(n1CCO)[N+]([O-])=O
Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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UniProtKB/TrEMBL

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Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Jamia Millia Islamia

Curated by ChEMBL


Assay Description
Inhibition of Entamoeba histolytica thioredoxin reductase


Eur J Med Chem 124: 393-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.053
BindingDB Entry DOI: 10.7270/Q2XS5XCX
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50375309
PNG
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)
Show SMILES Cc1ncc(n1CCO)[N+]([O-])=O
Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50375309
PNG
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)
Show SMILES Cc1ncc(n1CCO)[N+]([O-])=O
Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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n/an/a 1.78E+5n/an/an/an/an/an/a



ChanTest Corporation

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits


Sci Rep 3: (2013)


BindingDB Entry DOI: 10.7270/Q2RB77K2
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50375309
PNG
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)
Show SMILES Cc1ncc(n1CCO)[N+]([O-])=O
Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50375309
PNG
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)
Show SMILES Cc1ncc(n1CCO)[N+]([O-])=O
Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))
BDBM50375309
PNG
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)
Show SMILES Cc1ncc(n1CCO)[N+]([O-])=O
Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
PDB

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n/an/a>2.00E+5n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay


Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50375309
PNG
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)
Show SMILES Cc1ncc(n1CCO)[N+]([O-])=O
Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair