BDBM195293 US9212153, 370,Ex. 313

SMILES: COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCOC3)C2=O)CC1

InChI Key: InChIKey=YKMVGDGYGSYQOR-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 = 195293   

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))	BDBM195293 (US9212153, 370,Ex. 313) Show SMILES COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCOC3)C2=O)CC1 |t:22,(5.45,-3.55,;3.87,-3.92,;2.75,-2.88,;1.66,-3.96,;.32,-3.2,;-1.22,-3.2,;-2.12,-4.45,;-3.59,-3.97,;-4.92,-4.74,;-6.26,-3.97,;-6.26,-2.43,;-7.59,-1.66,;-8.92,-2.43,;-10.26,-1.66,;-11.03,-.33,;-11.8,-1.66,;-4.92,-1.66,;-3.59,-2.43,;-2.12,-1.96,;-3.37,-1.05,;-2.89,.41,;-3.66,1.75,;-1.35,.41,;.29,1.67,;1.78,1.28,;2.25,-.19,;3.79,-.19,;4.27,1.28,;3.02,2.18,;-.88,-1.05,;.46,-1.82,;-.13,-2.11,;1.21,-2.88,)| Show InChI InChI=1S/C27H37N3O3/c1-32-22-8-11-26(12-9-22)15-21-7-6-19(5-4-18-2-3-18)14-23(21)27(26)24(31)30(25(28)29-27)16-20-10-13-33-17-20/h6-7,14,18,20,22H,2-5,8-13,15-17H2,1H3,(H2,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					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...				US Patent US9212153 (2015) BindingDB Entry DOI: 10.7270/Q2J67FRJ
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