Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM150689'   

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))	BDBM150689 (US8987254, 4) Show SMILES NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2cnc(CO)cn2)ccc1F |r,t:1| Show InChI InChI=1S/C22H20F2N8O2S/c23-13-4-28-21(29-5-13)32-8-12-10-35-20(25)31-22(12,11-32)16-3-14(1-2-17(16)24)30-19(34)18-7-26-15(9-33)6-27-18/h1-7,12,33H,8-11H2,(H2,25,31)(H,30,34)/t12-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.569	n/a	n/a	n/a	n/a	4.6	25
Eli Lilly and Company US Patent					Assay Description Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is ad...				US Patent US8987254 (2015) BindingDB Entry DOI: 10.7270/Q2FX786M
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