Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM455359'   

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))	BDBM455359 ((S)- or (R)-7-(4-Fluorophenyl)-N4,5-dimethyl-N2-((...) Show SMILES C[C@@H]1CN(c2nc(NC3C4CCC3CN(C4)c3cc(C)ncn3)nc(Cl)c12)c1ccc(F)cc1 |r,TLB:16:14:8:10.11,7:8:14.13.15:10.11| Show InChI InChI=1S/C25H27ClFN7/c1-14-10-34(19-7-5-18(27)6-8-19)24-21(14)23(26)31-25(32-24)30-22-16-3-4-17(22)12-33(11-16)20-9-15(2)28-13-29-20/h5-9,13-14,16-17,22H,3-4,10-12H2,1-2H3,(H,30,31,32)/t14-,16?,17?,22?/m1/s1	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	16	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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