Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-453]' and Ligand = 'BDBM16090'   

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 [1-453] (Homo sapiens (Human))	BDBM16090 ((2R,4S)-4-[(3S,6R,13aR,17aR)-3-methyl-1,4-dioxo-1H...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@H]2CNCC[C@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16| Show InChI InChI=1S/C25H44N4O4S/c1-4-5-11-27-23(31)17(2)14-22(30)21-16-34-13-8-6-7-9-19-15-26-12-10-20(19)25(33)28-18(3)24(32)29-21/h6,8,17-22,26,30H,4-5,7,9-16H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/b8-6+/t17-,18+,19+,20-,21+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Universite de Montreal at Succursale Centre-Ville					Assay Description Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...				J Med Chem 49: 4544-67 (2006) Article DOI: 10.1021/jm060154a BindingDB Entry DOI: 10.7270/Q2RV0KZN
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