Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM243014'   

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))	BDBM243014 (US9422277, 77) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H15ClF3N7O4S2/c1-19(8-37(32,33)31(2)18(25)27-19)13-11(21)7-12(36-13)16-29-28-15(34-16)10-5-3-9(4-6-10)14-26-17(35-30-14)20(22,23)24/h3-7H,8H2,1-2H3,(H2,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	258	-38.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
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