BDBM149247 US8962674, CU133

SMILES: COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1O

InChI Key: InChIKey=BKHNLDQVVSRLCV-YBSXJGAUSA-N

Data: 1 IC50

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 = 149247   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM149247 (US8962674, CU133) Show SMILES COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1O Show InChI InChI=1S/C20H17NO7/c1-28-20-9-3-13(10-19(20)25)2-5-16(23)12-17(24)6-4-14-11-15(22)7-8-18(14)21(26)27/h2-11,22,25H,12H2,1H3/b5-2+,6-4+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	630	n/a	n/a	n/a	n/a	4.5	37
Tokyo Institute of Technology; Kyoto University US Patent					Assay Description Compounds were dissolved in dimethylsulfoxide (DMSO), and further diluted in 0.1 M sodium acetate buffer (with 150 mM sodium chloride, pH 4.5). The s...				US Patent US8962674 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G1J
					More data for this Ligand-Target Pair