Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50515565'   

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))	BDBM50515565 (CHEMBL4453231) Show SMILES CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC(O)CO)C3=O)ccc12 Show InChI InChI=1S/C22H20N2O5S3/c1-23-15-4-2-3-5-17(15)31-18-8-13(6-7-16(18)23)9-19-21(28)24(22(30)32-19)10-20(27)29-12-14(26)11-25/h2-9,14,25-26H,10-12H2,1H3/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a
Guangdong University of Technology Curated by ChEMBL					Assay Description Binding affinity to amyloid beta 1 to 42 (unknown origin) in PBS buffer at pH 7.4 assessed as binding constant by fluorescence based assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111585 BindingDB Entry DOI: 10.7270/Q2TB1B75
					More data for this Ligand-Target Pair