Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50510977'   

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))	BDBM50510977 (CHEMBL4577527) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F)C(F)F |r,c:7| Show InChI InChI=1S/C21H17F4N5O2S/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(23)12(22)6-10)20(2)14-7-21(14,18(24)25)33-19(26)30-20/h1,5-6,8-9,14,18H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,20+,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	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))	BDBM50510977 (CHEMBL4577527) Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F)C(F)F |r,c:7| Show InChI InChI=1S/C21H17F4N5O2S/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(23)12(22)6-10)20(2)14-7-21(14,18(24)25)33-19(26)30-20/h1,5-6,8-9,14,18H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,20+,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	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