BDBM228821 ALR2 inhibitor, 8

SMILES: OC(=O)COc1cc(F)ccc1C(=O)Nc1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=ULPCPDPWLSCEDU-UHFFFAOYSA-N

Data: 1 Kd  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 = 228821   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228821 (ALR2 inhibitor, 8) Show SMILES OC(=O)COc1cc(F)ccc1C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C15H11FN2O6/c16-9-4-5-12(13(6-9)24-8-14(19)20)15(21)17-10-2-1-3-11(7-10)18(22)23/h1-7H,8H2,(H,17,21)(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	8.5	n/a
Philipps-Universität Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 228821

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) (Homo sapiens (Human))	BDBM228821 (ALR2 inhibitor, 8)	GoogleScholar PDB	PC cid PC sid		-10.6	-5.09	-15.7	10.7	8	24.9
Philipps-Universität Marburg					ACS Chem Biol 12: 1397-1415 (2017)