Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.3 BDBM213721

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))	BDBM213721 (US9284284, 12) Show SMILES Cc1cn2ccnc(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c2n1 |r,c:22| Show InChI InChI=1S/C18H17F3N6O/c1-10-7-27-5-4-23-15(16(27)24-10)25-11-2-3-13(19)12(6-11)18(17(20)21)9-28-8-14(22)26-18/h2-7,17H,8-9H2,1H3,(H2,22,26)(H,23,25)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	72	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))	BDBM213721 (US9284284, 12) Show SMILES Cc1cn2ccnc(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c2n1 |r,c:22| Show InChI InChI=1S/C18H17F3N6O/c1-10-7-27-5-4-23-15(16(27)24-10)25-11-2-3-13(19)12(6-11)18(17(20)21)9-28-8-14(22)26-18/h2-7,17H,8-9H2,1H3,(H2,22,26)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	350	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