BDBM50095987 CHEMBL3593280

SMILES: [I-].CCN1\C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=C\C=C\c1sc2ccccc2[n+]1CC

InChI Key: InChIKey=FELDORDUXYSUKS-IPLINKKNSA-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 = 50095987   

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 amyloid A4 protein (Homo sapiens (Human))	BDBM50095987 (CHEMBL3593280) Show SMILES [I-].CCN1\C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=C\C=C\c1sc2ccccc2[n+]1CC Show InChI InChI=1S/C20H21N7O4/c1-2-23-19(30)16-14(28)15(29)20(31-16)27-9-24-13-17(22)25-12(26-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,2,21H2,1H3,(H,23,30)(H2,22,25,26)/t14-,15+,16+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 40) (unknown origin) aggregation assessed as amount of fibrils formation at 100 uM after 2 hrs by thioflavin T based...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
					More data for this Ligand-Target Pair