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BDBM50075050 Alinia::NITAZOXANIDE::Nitazoxanide::PH-5776

SMILES: CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O

InChI Key: InChIKey=YQNQNVDNTFHQSW-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075050   
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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50075050
PNG
(Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776)
Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O
Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 8.22E+3n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human AR


J Med Chem 58: 2047-67 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)