Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM501319'   

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))	BDBM501319 (US11021493, Example 238) Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)oc3C)cn2)cc(F)c1F |r,c:3| Show InChI InChI=1S/C23H23F3N6O4S/c1-12-19(30-13(2)36-12)10-35-20-9-28-18(8-29-20)16(24)6-14-5-15(21(26)17(25)7-14)23(3)11-37(33,34)32(4)22(27)31-23/h5-9H,10-11H2,1-4H3,(H2,27,31)/b16-6-/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US11021493 (2021) BindingDB Entry DOI: 10.7270/Q2CZ3B90
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM501319 (US11021493, Example 238) Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)oc3C)cn2)cc(F)c1F |r,c:3| Show InChI InChI=1S/C23H23F3N6O4S/c1-12-19(30-13(2)36-12)10-35-20-9-28-18(8-29-20)16(24)6-14-5-15(21(26)17(25)7-14)23(3)11-37(33,34)32(4)22(27)31-23/h5-9H,10-11H2,1-4H3,(H2,27,31)/b16-6-/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...				US Patent US11021493 (2021) BindingDB Entry DOI: 10.7270/Q2CZ3B90
					More data for this Ligand-Target Pair