Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50510978'   

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))	BDBM50510978 (CHEMBL4539909) Show SMILES [H][C@@]12C[C@]1(CF)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:9| Show InChI InChI=1S/C19H16ClF3N4OS/c1-18(14-6-19(14,8-21)29-17(24)27-18)11-4-10(5-12(22)15(11)23)26-16(28)13-3-2-9(20)7-25-13/h2-5,7,14H,6,8H2,1H3,(H2,24,27)(H,26,28)/t14-,18+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510978 (CHEMBL4539909) Show SMILES [H][C@@]12C[C@]1(CF)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:9| Show InChI InChI=1S/C19H16ClF3N4OS/c1-18(14-6-19(14,8-21)29-17(24)27-18)11-4-10(5-12(22)15(11)23)26-16(28)13-3-2-9(20)7-25-13/h2-5,7,14H,6,8H2,1H3,(H2,24,27)(H,26,28)/t14-,18+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE in HEK293 cells harboring APP Swedish mutant assessed as reduction in amyloid beta 40 level measured after overnight incubation by...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair