Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50177795'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50177795 (CHEMBL3813859) Show SMILES Cc1ccc(CNc2nc(N)c3ccccc3n2)cc1 Show InChI InChI=1S/C16H16N4/c1-11-6-8-12(9-7-11)10-18-16-19-14-5-3-2-4-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+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 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis				ACS Med Chem Lett 7: 502-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00039 BindingDB Entry DOI: 10.7270/Q27W6F3R
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50177795 (CHEMBL3813859) Show SMILES Cc1ccc(CNc2nc(N)c3ccccc3n2)cc1 Show InChI InChI=1S/C16H16N4/c1-11-6-8-12(9-7-11)10-18-16-19-14-5-3-2-4-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+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) Article DOI: 10.1021/acsmedchemlett.6b00039 BindingDB Entry DOI: 10.7270/Q27W6F3R
					More data for this Ligand-Target Pair