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

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 1 hit for monomerid = 16233   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member B1 (Human)	BDBM16233 (Ligand 1 | 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	530	n/a	n/a	n/a	n/a	6.2	25
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16233

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Aldose reductase (AR) (Human)	BDBM16233 (Ligand 1 | 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-...)	GoogleScholar			-8.46	-2.34	-6.11	6.22	8	24.9
TBA					Details of this binding reaction