Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L]' and Ligand = 'BDBM476542'   

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
Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L] (Homo sapiens (Human))	BDBM476542 (US10875854, Example 15) Show SMILES CC(C)c1ccc(OCC(F)(F)F)n2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cnnc(Cl)c3)nc12 |r,TLB:16:17:23.24.22:19.20,THB:25:23:17:19.20| Show InChI InChI=1S/C22H25ClF3N7O/c1-12(2)16-5-6-18(34-11-22(24,25)26)33-20(16)29-21(31-33)28-19-13-3-4-14(19)10-32(9-13)15-7-17(23)30-27-8-15/h5-8,12-14,19H,3-4,9-11H2,1-2H3,(H,28,31)/t13-,14+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23.2	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 US10875854 (2020) BindingDB Entry DOI: 10.7270/Q28W3HCB
					More data for this Ligand-Target Pair