Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM16266'   

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))	BDBM16266 (amide-urethane derived inhibitor 12b | but-3-en-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C39H62N6O8/c1-10-12-19-53-39(52)45-34(26(7)8)38(51)43-30(22-32(47)40-18-11-2)36(49)42-29(20-24(3)4)31(46)21-27(9)35(48)44-33(25(5)6)37(50)41-23-28-16-14-13-15-17-28/h10-11,13-17,24-27,29-31,33-34,46H,1-2,12,18-23H2,3-9H3,(H,40,47)(H,41,50)(H,42,49)(H,43,51)(H,44,48)(H,45,52)/t27-,29+,30+,31+,33+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61.4	-42.8	n/a	n/a	n/a	n/a	n/a	4.5	37
University of Illinois at Chicago					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				Bioorg Med Chem Lett 15: 15-20 (2005) Article DOI: 10.1016/j.bmcl.2004.10.084 BindingDB Entry DOI: 10.7270/Q2ZC814B
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