Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116243'   

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))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	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 10 nM concentrations is incubated w...				US Patent US8637508 (2014) BindingDB Entry DOI: 10.7270/Q2JD4VFD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...				US Patent US10683287 (2020) BindingDB Entry DOI: 10.7270/Q2DZ0CCG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116243 (US10035794, Example 19 | US10683287, Example 19 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7| Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	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 10 nM concentrations is incubated w...				US Patent US10035794 (2018) BindingDB Entry DOI: 10.7270/Q2RB76M3
					More data for this Ligand-Target Pair