Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM101022'   

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))	BDBM101022 (US8507479, 652) Show SMILES Cc1cn2cc(ncc2n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:29| Show InChI InChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using human BACE-1.				US Patent US8541408 (2013) BindingDB Entry DOI: 10.7270/Q2KK99D8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM101022 (US8507479, 652) Show SMILES Cc1cn2cc(ncc2n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:29| Show InChI InChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Beta-Secretase inhibition assay.				US Patent US8507479 (2013) BindingDB Entry DOI: 10.7270/Q2KS6Q6G
					More data for this Ligand-Target Pair