Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM155111'   

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))	BDBM155111 (US9000182, 18) Show SMILES CC[C@@H](C)Oc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,2.3,c:24,t:20,(-7.88,-1,;-6.55,-.23,;-5.21,-1,;-5.21,-2.54,;-3.88,-.23,;-2.55,-1,;-2.55,-2.54,;-1.21,-3.31,;.12,-2.54,;1.59,-3.01,;2.49,-1.77,;3.26,-.43,;4.8,-.43,;5.57,-1.77,;4.8,-3.1,;3.26,-3.1,;7.11,-1.77,;7.88,-3.1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;.12,-1,;-1.21,-.23,)| Show InChI InChI=1S/C22H31N3O2/c1-5-14(2)27-18-7-6-16-13-21(10-8-17(26-4)9-11-21)22(19(16)12-18)24-15(3)20(23)25-22/h6-7,12,14,17H,5,8-11,13H2,1-4H3,(H2,23,25)/t14-,17-,21-,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	89	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
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