BDBM16235 2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid::JFD00882::Ligand 2::{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

SMILES OC(=O)CSc1nnc(o1)-c1ccc(o1)[N+]([O-])=O

InChI Key InChIKey=ITBNJCVIFHSKRL-UHFFFAOYSA-N

Data  1 IC50  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16235   

TargetAldo-keto reductase family 1 member B1(Human)
University of Marburg

LigandPNGBDBM16235(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
Affinity DataIC50: 4.10E+3nMpH: 6.2 T: 2°CAssay Description:The in vitro inhibitory activity of the candidate molecules was determined by recording the decrease of the NADPH absorbance upon enzymatic reduction...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16235   

CellAldose reductase (AR)(Human)
University of Marburg

SyringePNGBDBM16235(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
ITC DataΔG°: -7.48kcal/mole −TΔS°: -5.40kcal/mole ΔH°: -2.08kcal/mole logk: 3.10E+5
pH: 8.0 T: 24.85°C