Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116267'   

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))	BDBM116267 (US10035794, Example 44 | US10683287, Example 44 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,c:7| Show InChI InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant BACE1 catalytic domain using FRET substrate with BACE-cleavable sequence				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01300 BindingDB Entry DOI: 10.7270/Q27D302Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116267 (US10035794, Example 44 | US10683287, Example 44 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,c:7| Show InChI InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	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))	BDBM116267 (US10035794, Example 44 | US10683287, Example 44 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,c:7| Show InChI InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	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))	BDBM116267 (US10035794, Example 44 | US10683287, Example 44 | ...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,c:7| Show InChI InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	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