Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM455337'   

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))	BDBM455337 (7-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(2-methoxypyri...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9| Show InChI InChI=1S/C28H34FN7O/c1-28(2)16-36(20-9-7-19(29)8-10-20)26-23(28)25(30-3)33-27(34-26)32-24-17-5-6-18(24)15-35(14-17)21-11-12-31-22(13-21)37-4/h7-13,17-18,24H,5-6,14-16H2,1-4H3,(H2,30,32,33,34)	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	23	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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