BDBM160683 US9045500, 5

SMILES: COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cccnc2)CC1

InChI Key: InChIKey=JNQFSJMQTKFBBJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 160683   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM160683 (US9045500, 5) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cccnc2)CC1 |t:16,23,(7.84,-1.4,;6.5,-2.17,;5.17,-1.4,;4.08,-2.49,;2.74,-1.72,;1.2,-1.72,;.3,-2.97,;-1.17,-2.49,;-2.5,-3.26,;-3.84,-2.49,;-3.84,-.95,;-2.5,-.18,;-1.17,-.95,;.3,-.48,;-.9,.49,;-.35,1.93,;-1.12,3.26,;1.19,1.85,;2.28,2.94,;3.77,2.54,;4.16,1.05,;3.08,-.04,;1.59,.36,;-5.17,-.18,;-6.5,-.95,;-7.84,-.18,;-7.84,1.36,;-6.5,2.13,;-5.17,1.36,;2.29,-.63,;3.63,-1.4,)| Show InChI InChI=1S/C25H29N5O/c1-31-20-7-9-24(10-8-20)15-18-6-5-17(19-4-2-11-27-16-19)14-21(18)25(24)22-28-12-3-13-30(22)23(26)29-25/h2,4-6,11,14,16,20H,3,7-10,12-13,15H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	4.5	25
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor.TM....				US Patent US9045500 (2015) BindingDB Entry DOI: 10.7270/Q2RB73B8
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