Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM123858'   

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))	BDBM123858 (US8748418, 2) Show SMILES C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,t:2| Show InChI InChI=1S/C17H18ClF4N5O/c1-17(14(20)7-28-8-15(23)25-17)10-4-9(2-3-12(10)19)24-5-13-11(18)6-27(26-13)16(21)22/h2-4,6,14,16,24H,5,7-8H2,1H3,(H2,23,25)/t14-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
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