BDBM160682 US9045500, 4

SMILES: COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)C#CC2CC2)CC1

InChI Key: InChIKey=SDKWCTNSGAPDNE-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 = 160682   

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))	BDBM160682 (US9045500, 4) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)C#CC2CC2)CC1 |t:16,23,(8.61,-1.4,;7.27,-2.17,;5.94,-1.4,;4.85,-2.49,;3.51,-1.72,;1.97,-1.72,;1.07,-2.97,;-.4,-2.49,;-1.73,-3.26,;-3.07,-2.49,;-3.07,-.95,;-1.73,-.18,;-.4,-.95,;1.07,-.48,;-.13,.49,;.42,1.93,;-.35,3.26,;1.96,1.85,;3.05,2.94,;4.54,2.54,;4.93,1.05,;3.85,-.04,;2.36,.36,;-4.4,-.18,;-5.73,.59,;-7.07,1.36,;-7.84,2.69,;-8.61,1.36,;3.06,-.63,;4.4,-1.4,)| Show InChI InChI=1S/C25H30N4O/c1-30-20-9-11-24(12-10-20)16-19-8-7-18(6-5-17-3-4-17)15-21(19)25(24)22-27-13-2-14-29(22)23(26)28-25/h7-8,15,17,20H,2-4,9-14,16H2,1H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	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
					More data for this Ligand-Target Pair