Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM389137'   

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))	BDBM389137 (US9949975, Example 5) Show SMILES CC[C@H]1C[C@]2(Cc3ccc(cc3[C@]22NC(=S)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@@H]1OC |r| Show InChI InChI=1S/C25H31N3O3S/c1-3-17-12-24(9-8-21(17)30-2)13-18-7-6-16(14-26)11-20(18)25(24)22(29)28(23(32)27-25)15-19-5-4-10-31-19/h6-7,11,17,19,21H,3-5,8-10,12-13,15H2,1-2H3,(H,27,32)/t17-,19+,21-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta...				J Med Chem 52: 336-46 (2009) BindingDB Entry DOI: 10.7270/Q25D8V5X
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