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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  1 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 2 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
PDB

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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

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)

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

UniProtKB/SwissProt

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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
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)

More data for this
Ligand-Target Pair