BDBM150698 US8981112, 5

SMILES: CC[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@@H]1OC

InChI Key: InChIKey=YXYULMWUAULFQM-WSXGSKLPSA-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 = 150698   

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))	BDBM150698 (US8981112, 5) Show SMILES CC[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@@H]1OC |r,t:15| Show InChI InChI=1S/C25H32N4O3/c1-3-17-12-24(9-8-21(17)31-2)13-18-7-6-16(14-26)11-20(18)25(24)22(30)29(23(27)28-25)15-19-5-4-10-32-19/h6-7,11,17,19,21H,3-5,8-10,12-13,15H2,1-2H3,(H2,27,28)/t17-,19+,21-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceuticals, Inc.; Boehringer-Ingelheim International GmbH US Patent					Assay Description The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...				US Patent US8981112 (2015) BindingDB Entry DOI: 10.7270/Q2B56HG6
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