Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM455351'   

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))	BDBM455351 (N4,5,5-Trimethyl-N2-((1R,5S,8s)-3-(6-methylpyrimid...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)C12CC(C1)(C2)C(F)(F)F |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C27H35F3N8/c1-15-7-18(33-14-32-15)37-8-16-5-6-17(9-37)20(16)34-23-35-21(31-4)19-22(36-23)38(13-24(19,2)3)26-10-25(11-26,12-26)27(28,29)30/h7,14,16-17,20H,5-6,8-13H2,1-4H3,(H2,31,34,35,36)	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	111	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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