BDBM195099 US9212153, 150 & 151,Ex. 114

SMILES: CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(O)CC1)C#CC1CC1

InChI Key: InChIKey=VZNNARTUOYALMX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 195099   

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 (aa 1-458) (Homo sapiens (Human))	BDBM195099 (US9212153, 150 & 151,Ex. 114) Show SMILES CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(O)CC1)C#CC1CC1 |c:3,(3.56,3.24,;2.79,1.91,;1.25,1.91,;.48,3.24,;.77,.45,;2.02,-.46,;3.26,.45,;4.59,-.32,;.55,-.93,;-.78,-.16,;-2.12,-.93,;-2.12,-2.47,;-.78,-3.24,;.55,-2.47,;2.02,-2.95,;2.92,-1.7,;4.46,-1.7,;5.8,-2.47,;6.89,-1.38,;7.66,-.04,;5.35,-1.38,;4.01,-.62,;-3.45,-.16,;-4.78,.61,;-6.12,1.38,;-6.89,2.71,;-7.66,1.38,)| Show InChI InChI=1S/C22H25N3O2/c1-25-19(27)22(24-20(25)23)18-12-15(5-4-14-2-3-14)6-7-16(18)13-21(22)10-8-17(26)9-11-21/h6-7,12,14,17,26H,2-3,8-11,13H2,1H3,(H2,23,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	207	n/a	n/a	n/a	n/a	4.5	25
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...				US Patent US9212153 (2015) BindingDB Entry DOI: 10.7270/Q2J67FRJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (aa 1-458) (Homo sapiens (Human))	BDBM195099 (US9212153, 150 & 151,Ex. 114) Show SMILES CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(O)CC1)C#CC1CC1 |c:3,(3.56,3.24,;2.79,1.91,;1.25,1.91,;.48,3.24,;.77,.45,;2.02,-.46,;3.26,.45,;4.59,-.32,;.55,-.93,;-.78,-.16,;-2.12,-.93,;-2.12,-2.47,;-.78,-3.24,;.55,-2.47,;2.02,-2.95,;2.92,-1.7,;4.46,-1.7,;5.8,-2.47,;6.89,-1.38,;7.66,-.04,;5.35,-1.38,;4.01,-.62,;-3.45,-.16,;-4.78,.61,;-6.12,1.38,;-6.89,2.71,;-7.66,1.38,)| Show InChI InChI=1S/C22H25N3O2/c1-25-19(27)22(24-20(25)23)18-12-15(5-4-14-2-3-14)6-7-16(18)13-21(22)10-8-17(26)9-11-21/h6-7,12,14,17,26H,2-3,8-11,13H2,1H3,(H2,23,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	4.5	25
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...				US Patent US9212153 (2015) BindingDB Entry DOI: 10.7270/Q2J67FRJ
					More data for this Ligand-Target Pair