Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM156241'   

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))	BDBM156241 (US9018391, 3) Show SMILES C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)Cl)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14| Show InChI InChI=1S/C23H29ClN4O2/c1-13-8-22(9-14(2)18(13)29)10-16-6-5-15(11-25)7-17(16)23(22)19(30)28(20(26)27-23)12-21(3,4)24/h5-7,13-14,18,29H,8-10,12H2,1-4H3,(H2,26,27)/t13-,14+,18+,22+,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	4.4	n/a
Boehringer Ingelheim International GmbH; Vitae Pharmaceuticals, Inc. 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 US9018391 (2015) BindingDB Entry DOI: 10.7270/Q2QN65HR
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