BDBM165918 US9067924, 12

SMILES: CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F

InChI Key: InChIKey=CYCLJRCGHAMVBG-NRFANRHFSA-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 = 165918   

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 (BACE1) (Mus musculus (Mouse))	BDBM165918 (US9067924, 12) Show SMILES CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,c:4| Show InChI InChI=1S/C21H22FN5O3S/c1-20(2)19(23)27-21(3,9-10-31(20,29)30)15-11-13(5-7-16(15)22)26-18(28)17-8-6-14(24-4)12-25-17/h5-8,11-12H,9-10H2,1-3H3,(H2,23,27)(H,26,28)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair