BDBM195061 US10336717, Compound 115::US9212153, 115,Ex. 81

SMILES: COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(F)(F)F)CC1

InChI Key: InChIKey=YNRXCFMDHIDMSG-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 = 195061   

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))	BDBM195061 (US10336717, Compound 115 | US9212153, 115,Ex. 81) Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(F)(F)F)CC1 |c:20,(4.78,1.49,;3.44,.72,;2.11,1.49,;1.02,.4,;-.32,1.16,;-1.86,1.16,;-2.76,-.08,;-4.23,.39,;-5.56,-.38,;-6.89,.39,;-6.89,1.93,;-5.56,2.7,;-4.23,1.93,;-2.76,2.41,;-1.3,2.88,;-1.3,4.42,;-.05,5.33,;-2.76,4.9,;-3.53,6.23,;-3.67,3.65,;-8.23,2.7,;-9.56,3.47,;-10.89,4.24,;-10.89,5.78,;-12.23,5.01,;-11.98,3.15,;-.77,2.25,;.57,1.49,)| Show InChI InChI=1S/C20H22F3N3O2/c1-26-17(24)25-20(28-26)16-11-13(5-10-19(21,22)23)3-4-14(16)12-18(20)8-6-15(27-2)7-9-18/h3-4,11,15H,6-9,12H2,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WH2NCD
					More data for this Ligand-Target Pair
Beta-secretase 1 (aa 1-458) (Homo sapiens (Human))	BDBM195061 (US10336717, Compound 115 | US9212153, 115,Ex. 81) Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(F)(F)F)CC1 |c:20,(4.78,1.49,;3.44,.72,;2.11,1.49,;1.02,.4,;-.32,1.16,;-1.86,1.16,;-2.76,-.08,;-4.23,.39,;-5.56,-.38,;-6.89,.39,;-6.89,1.93,;-5.56,2.7,;-4.23,1.93,;-2.76,2.41,;-1.3,2.88,;-1.3,4.42,;-.05,5.33,;-2.76,4.9,;-3.53,6.23,;-3.67,3.65,;-8.23,2.7,;-9.56,3.47,;-10.89,4.24,;-10.89,5.78,;-12.23,5.01,;-11.98,3.15,;-.77,2.25,;.57,1.49,)| Show InChI InChI=1S/C20H22F3N3O2/c1-26-17(24)25-20(28-26)16-11-13(5-10-19(21,22)23)3-4-14(16)12-18(20)8-6-15(27-2)7-9-18/h3-4,11,15H,6-9,12H2,1-2H3,(H2,24,25)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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