Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 398.3 BDBM186064

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

Found 3 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM186064 (US9163011, 18) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2| Show InChI InChI=1S/C16H14F4N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US9163011 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MV1
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM186064 (US9163011, 18) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2| Show InChI InChI=1S/C16H14F4N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	4.5	25
NOVARTIS AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...				US Patent US9163011 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MV1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM186064 (US9163011, 18) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2| Show InChI InChI=1S/C16H14F4N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	4.5	25
NOVARTIS AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...				US Patent US9163011 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MV1
					More data for this Ligand-Target Pair