Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM210886'   

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 [1-454] (Homo sapiens (Human))	BDBM210886 (US9290477, 4) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)C[C@@H]1C |r,c:21,t:17| Show InChI InChI=1S/C19H24BrN3O/c1-11-9-18(7-6-16(11)24-3)10-13-4-5-14(20)8-15(13)19(18)22-12(2)17(21)23-19/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H2,21,23)/t11-,16-,18-,19?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.3	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) containing th...				US Patent US9290477 (2016) BindingDB Entry DOI: 10.7270/Q2C82853
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