Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM210091'   

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))	BDBM210091 (US9270353, 50) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210091 (US9270353, 50) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210091 (US9270353, 50) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	5.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description 48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...				US Patent US9273053 (2016) BindingDB Entry DOI: 10.7270/Q24Q7SVG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210091 (US9270353, 50) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	5.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description 48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...				US Patent US9273053 (2016) BindingDB Entry DOI: 10.7270/Q24Q7SVG
					More data for this Ligand-Target Pair