Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 466.2 BDBM213717

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 2 (Homo sapiens (Human))	BDBM213717 (US9284284, 8) Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r,t:1| Show InChI InChI=1S/C19H15BrF3N5O/c20-11-5-10-3-4-25-17(16(10)26-7-11)27-12-1-2-14(21)13(6-12)19(18(22)23)9-29-8-15(24)28-19/h1-7,18H,8-9H2,(H2,24,28)(H,25,27)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 US9284284 (2016) BindingDB Entry DOI: 10.7270/Q25D8QP0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM213717 (US9284284, 8) Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r,t:1| Show InChI InChI=1S/C19H15BrF3N5O/c20-11-5-10-3-4-25-17(16(10)26-7-11)27-12-1-2-14(21)13(6-12)19(18(22)23)9-29-8-15(24)28-19/h1-7,18H,8-9H2,(H2,24,28)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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 US9284284 (2016) BindingDB Entry DOI: 10.7270/Q25D8QP0
					More data for this Ligand-Target Pair