Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM455356'   

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))	BDBM455356 (8-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9| Show InChI InChI=1S/C28H35FN8/c1-17-13-22(32-16-31-17)36-14-18-5-6-19(15-36)24(18)33-27-34-25(30-4)23-26(35-27)37(12-11-28(23,2)3)21-9-7-20(29)8-10-21/h7-10,13,16,18-19,24H,5-6,11-12,14-15H2,1-4H3,(H2,30,33,34,35)	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	35	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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