BDBM150694 US8981112, 1

SMILES: CC[C@@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)[N+]#[C-])CC[C@@H]1OC

InChI Key: InChIKey=AVVORUVBZPZBAG-VKHXMUCXSA-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 = 150694   

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))	BDBM150694 (US8981112, 1) Show SMILES CC[C@@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)[N+]#[C-])CC[C@@H]1OC |r,t:15| Show InChI InChI=1S/C25H28N6O2/c1-4-16-13-24(9-8-20(16)33-3)14-17-6-7-18(27-2)12-19(17)25(24)22(32)31(23(26)30-25)15-21-28-10-5-11-29-21/h5-7,10-12,16,20H,4,8-9,13-15H2,1,3H3,(H2,26,30)/t16-,20+,24+,25-/m1/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	11	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
					More data for this Ligand-Target Pair