BDBM195383 US9212153, 467,Ex. 401

SMILES: CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)C#CC1CC1

InChI Key: InChIKey=CFVFELQKHUFPHB-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 = 195383   

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))	BDBM195383 (US9212153, 467,Ex. 401) Show SMILES CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)C#CC1CC1 |c:3| Show InChI InChI=1S/C24H24N4O2/c1-14-18-13-23(10-9-20(18)27-30-14)12-17-8-7-16(6-5-15-3-4-15)11-19(17)24(23)21(29)28(2)22(25)26-24/h7-8,11,15H,3-4,9-10,12-13H2,1-2H3,(H2,25,26)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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