Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-460]' and Ligand = 'BDBM224808'   

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 [1-460] (Homo sapiens (Human))	BDBM224808 (US9328124, 8) Show SMILES CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=[N]([C@H]2C1)c1cnccn1 |r,c:18| Show InChI InChI=1S/C17H21FN7OS/c1-17(2,26)14-11(18)5-22-16(23-14)24-7-10-9-27-15(19)25(12(10)8-24)13-6-20-3-4-21-13/h3-6,10,12,26H,7-9,19H2,1-2H3/t10-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	105	n/a	n/a	n/a	n/a	4.6	25
Eli Lilly and Company US Patent					Assay Description Ten μL of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25...				US Patent US9328124 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M66
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