BDBM156245 US9018391, 7

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

InChI Key: InChIKey=CYVYHQIMRSDPRE-HCEVFFAKSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 156245   

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))	BDBM156245 (US9018391, 7) Show SMILES CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H](C)[C@H]1O |r,t:15| Show InChI InChI=1S/C24H31FN4O2/c1-5-16-10-23(9-14(2)19(16)30)11-17-7-6-15(12-26)8-18(17)24(23)20(31)29(21(27)28-24)13-22(3,4)25/h6-8,14,16,19,30H,5,9-11,13H2,1-4H3,(H2,27,28)/t14-,16+,19+,23+,24+/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	3.40	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
					More data for this Ligand-Target Pair