BDBM156243 US9018391, 5

SMILES: C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)-c2cncnc2)C[C@@H](C)[C@@H]1O

InChI Key: InChIKey=UPTWHSROTCVEQO-SZELWNNHSA-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 = 156243   

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))	BDBM156243 (US9018391, 5) Show SMILES C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)-c2cncnc2)C[C@@H](C)[C@@H]1O |r,t:14| Show InChI InChI=1S/C26H32FN5O2/c1-15-8-25(9-16(2)21(15)33)10-18-6-5-17(19-11-29-14-30-12-19)7-20(18)26(25)22(34)32(23(28)31-26)13-24(3,4)27/h5-7,11-12,14-16,21,33H,8-10,13H2,1-4H3,(H2,28,31)/t15-,16+,21+,25+,26-/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	2.60	n/a	n/a	n/a	n/a	4.4	n/a
Boehringer Ingelheim International GmbH; Vitae Pharmaceuticals, Inc. 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 US9018391 (2015) BindingDB Entry DOI: 10.7270/Q2QN65HR
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