Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-458]' and Ligand = 'BDBM195124'   

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 [1-458] (Homo sapiens (Human))	BDBM195124 (US9212153, 184,Ex. 145) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccnc2)CC1 |t:16| Show InChI InChI=1S/C23H26N4O2/c1-27-20(28)23(26-21(27)24)19-12-15(17-4-3-11-25-14-17)5-6-16(19)13-22(23)9-7-18(29-2)8-10-22/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	4.5	25
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...				US Patent US9212153 (2015) BindingDB Entry DOI: 10.7270/Q2J67FRJ
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