Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM455347'   

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))	BDBM455347 (7-(3,3-Difluorocyclobutyl)-N4,5,5-trimethyl-N2-((1...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(C)c2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C25H34F2N8/c1-14-7-17(10-29-33-14)34-11-15-5-6-16(12-34)20(15)30-23-31-21(28-4)19-22(32-23)35(13-24(19,2)3)18-8-25(26,27)9-18/h7,10,15-16,18,20H,5-6,8-9,11-13H2,1-4H3,(H2,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020) BindingDB Entry DOI: 10.7270/Q27M0C0J
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