Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM312939'   

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))	BDBM312939 (Ex. 64 of US 8198269 | US9605007, Comparator 5) Show SMILES NC1=N[C@]2(COCC[C@H]2CS1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1| Show InChI InChI=1S/C18H17N5O2S2/c19-6-11-1-2-14(21-7-11)16(24)22-13-5-15(26-9-13)18-10-25-4-3-12(18)8-27-17(20)23-18/h1-2,5,7,9,12H,3-4,8,10H2,(H2,20,23)(H,22,24)/t12-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The BACE1 and BACE2 binding assays measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioli...				US Patent US9605007 (2017) BindingDB Entry DOI: 10.7270/Q2JQ133S
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