Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM239005'   

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))	BDBM239005 (US9403846, 19) Show SMILES CC1(C)CCC(O1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14| Show InChI InChI=1S/C19H24F2N2O2S/c1-18(2)6-5-15(25-18)16-7-11-9-26-17(22)23-19(11,10-24-16)13-4-3-12(20)8-14(13)21/h3-4,8,11,15-16H,5-7,9-10H2,1-2H3,(H2,22,23)/t11-,15?,16+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	184	n/a	n/a	n/a	n/a	4.5	n/a
Pfizer Inc. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9403846 (2016) BindingDB Entry DOI: 10.7270/Q2JW8CTW
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