Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50540171'   

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))	BDBM50540171 (CHEMBL4643727) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:24| Show InChI InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) by cell based assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50540171 (CHEMBL4643727) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:24| Show InChI InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 using (MCA)-S-E-V-N-L-D-A-E-F-R-K(dinitrophenol)-R-R-R-R-NH2 as substrate incubated for 8 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00489 BindingDB Entry DOI: 10.7270/Q29W0KBW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50540171 (CHEMBL4643727) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:24| Show InChI InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair