Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM227977'   

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))	BDBM227977 (US10047098, 9) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F |r| Show InChI InChI=1S/C21H19F2N5O3/c1-11-5-14-19(29)28(2)20(25)27-21(14,10-30-11)13-7-17(16(23)8-15(13)22)31-18-6-12(9-24)3-4-26-18/h3-4,6-8,11,14H,5,10H2,1-2H3,(H2,25,27)/t11-,14-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
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