BDBM123861 US8748418, 5

SMILES: C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCOCC2)ccc1F

InChI Key: InChIKey=AOUYERQDQWXFRI-DOTOQJQBSA-N

Data: 2 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 2 hits for monomerid = 123861   

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 2 (Homo sapiens (Human))	BDBM123861 (US8748418, 5) Show SMILES C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCOCC2)ccc1F |r,t:2| Show InChI InChI=1S/C17H23F2N3O2/c1-17(15(19)9-24-10-16(20)22-17)13-8-12(2-3-14(13)18)21-11-4-6-23-7-5-11/h2-3,8,11,15,21H,4-7,9-10H2,1H3,(H2,20,22)/t15-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM123861 (US8748418, 5) Show SMILES C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCOCC2)ccc1F |r,t:2| Show InChI InChI=1S/C17H23F2N3O2/c1-17(15(19)9-24-10-16(20)22-17)13-8-12(2-3-14(13)18)21-11-4-6-23-7-5-11/h2-3,8,11,15,21H,4-7,9-10H2,1H3,(H2,20,22)/t15-,17+/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	2.40E+3	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
					More data for this Ligand-Target Pair