Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM234496'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM234496 (US9353084, 48) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)c1 |r,t:19| Show InChI InChI=1S/C21H22F4N4O2/c1-11-7-13(31-4)9-27-16(11)17(30)28-12-5-6-15(22)14(8-12)20(3)21(24,25)10-19(2,23)18(26)29-20/h5-9H,10H2,1-4H3,(H2,26,29)(H,28,30)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
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