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SMILES: Nc1nc(NCc2ccccc2)c2ccccc2n1

InChI Key: InChIKey=AOPGZFMVGYJPSS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50177832   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50177832 (CHEMBL3815078) Show SMILES Nc1nc(NCc2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis				ACS Med Chem Lett 7: 502-7 (2016) BindingDB Entry DOI: 10.7270/Q27W6F3R
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50177832 (CHEMBL3815078) Show SMILES Nc1nc(NCc2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis				ACS Med Chem Lett 7: 502-7 (2016) BindingDB Entry DOI: 10.7270/Q27W6F3R
					More data for this Ligand-Target Pair