Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM270568'   

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))	BDBM270568 (N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES C[C@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C19H18BrF3N4O/c1-18(23)8-15(22)19(2,27-17(18)24)12-7-11(4-5-13(12)21)26-16(28)14-6-3-10(20)9-25-14/h3-7,9,15H,8H2,1-2H3,(H2,24,27)(H,26,28)/t15-,18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	-47.8	n/a	n/a	n/a	n/a	n/a	4.5	25
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 US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
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