BDBM50293658 CHEMBL555721::trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitrate

SMILES O[C@H]1CC=CC[C@@H]1O[N+]([O-])=O

InChI Key InChIKey=VRAVUGJUPWWAIA-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50293658   

TargetGlutathione reductase, mitochondrial(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50293658(trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitra...)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human erythrocyte glutathione reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetGlutathione reductase, mitochondrial(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50293658(trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitra...)
Affinity DataKi:  3.51E+4nMAssay Description:Inhibition of human erythrocyte glutathione reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50293658(trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitra...)
Affinity DataKi:  1.37E+6nMAssay Description:Noncompetitive inhibition of human carbonic anhydrase 2 esterase activity by Lineweaver-Burke plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Ataturk University

Curated by ChEMBL
LigandPNGBDBM50293658(trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitra...)
Affinity DataKi:  2.74E+8nMAssay Description:Noncompetitive inhibition of human carbonic anhydrase 1 esterase activity by Lineweaver-Burke plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed