Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM150714'   

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))	BDBM150714 (US8981112, 21 | US9526727, 21 | US9949975, Example...) Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3COCCO3)C2=O)C#N)C[C@H]1C |r,t:17| Show InChI InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta...				J Med Chem 52: 336-46 (2009) BindingDB Entry DOI: 10.7270/Q25D8V5X
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM150714 (US8981112, 21 | US9526727, 21 | US9949975, Example...) Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3COCCO3)C2=O)C#N)C[C@H]1C |r,t:17| Show InChI InChI=1S/C25H32N4O4/c1-15-9-24(10-16(2)21(15)31-3)11-18-5-4-17(12-26)8-20(18)25(24)22(30)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15-16,19,21H,6-7,9-11,13-14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceuticals, Inc.; Boehringer-Ingelheim International GmbH US Patent					Assay Description The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...				US Patent US8981112 (2015) BindingDB Entry DOI: 10.7270/Q2B56HG6
					More data for this Ligand-Target Pair