Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 290.2 BDBM202624

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM202624 (US9242943, 33) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2ccon2)ccc1F |r,c:6| Show InChI InChI=1S/C14H15FN4O2/c1-14(8-20-7-12(16)18-14)10-6-9(2-3-11(10)15)17-13-4-5-21-19-13/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,19)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtit...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM202624 (US9242943, 33) Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2ccon2)ccc1F |r,c:6| Show InChI InChI=1S/C14H15FN4O2/c1-14(8-20-7-12(16)18-14)10-6-9(2-3-11(10)15)17-13-4-5-21-19-13/h2-6H,7-8H2,1H3,(H2,16,18)(H,17,19)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC. US Patent					Assay Description The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...				US Patent US9242943 (2016) BindingDB Entry DOI: 10.7270/Q2833QV5
					More data for this Ligand-Target Pair