BDBM16233 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid::BTB02809::Ligand 1

SMILES OC(=O)CCCc1nc([n-][o+]1)-c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=LQQYZJRCWBRIMW-UHFFFAOYSA-N

Data  1 IC50  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16233   

TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University Of Marburg

LigandPNGBDBM16233(4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic...)
Affinity DataIC50:  530nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16233   

CellAldose reductase (AR)(Homo sapiens (Human))
University Of Marburg

SyringePNGBDBM16233(4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic...)
ITC DataΔG°: -8.46kcal/mole −TΔS°: -2.34kcal/mole ΔH°: -6.11kcal/mole logk: 1.65E+6
pH: 8.0 T: 24.85°C