Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM34542'   

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))	BDBM34542 (US8546380, 220 | US8633188, 220) Show SMILES CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6| Show InChI InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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))	BDBM34542 (US8546380, 220 | US8633188, 220) Show SMILES CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6| Show InChI InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	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))	BDBM34542 (US8546380, 220 | US8633188, 220) Show SMILES CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6| Show InChI InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34542 (US8546380, 220 | US8633188, 220) Show SMILES CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6| Show InChI InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34542 (US8546380, 220 | US8633188, 220) Show SMILES CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6| Show InChI InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair