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BDBM50300739 3-cyano-4-p-tolyl-1,2,5-oxadiazole 2-oxide::CHEMBL574801

SMILES: Cc1ccc(cc1)-c1no[n+]([O-])c1C#N

InChI Key: InChIKey=WBPLAWYOUZCJBZ-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50300739   
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 1, cytoplasmic


(Rattus norvegicus)
BDBM50300739
PNG
(3-cyano-4-p-tolyl-1,2,5-oxadiazole 2-oxide | CHEMB...)
Show SMILES Cc1ccc(cc1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C10H7N3O2/c1-7-2-4-8(5-3-7)10-9(6-11)13(14)15-12-10/h2-5H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant TrxR1 after 10 mins


J Med Chem 52: 6474-83 (2009)


Article DOI: 10.1021/jm901021k
BindingDB Entry DOI: 10.7270/Q2TH8MS1
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50300739
PNG
(3-cyano-4-p-tolyl-1,2,5-oxadiazole 2-oxide | CHEMB...)
Show SMILES Cc1ccc(cc1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C10H7N3O2/c1-7-2-4-8(5-3-7)10-9(6-11)13(14)15-12-10/h2-5H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GR after 15 mins in presence of NADPH


J Med Chem 52: 6474-83 (2009)


Article DOI: 10.1021/jm901021k
BindingDB Entry DOI: 10.7270/Q2TH8MS1
More data for this
Ligand-Target Pair
Thioredoxin glutathione reductase


(Schistosoma mansoni)
BDBM50300739
PNG
(3-cyano-4-p-tolyl-1,2,5-oxadiazole 2-oxide | CHEMB...)
Show SMILES Cc1ccc(cc1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C10H7N3O2/c1-7-2-4-8(5-3-7)10-9(6-11)13(14)15-12-10/h2-5H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


J Med Chem 52: 6474-83 (2009)


Article DOI: 10.1021/jm901021k
BindingDB Entry DOI: 10.7270/Q2TH8MS1
More data for this
Ligand-Target Pair