Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50324932'   

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))	BDBM50324932 ((S)-2-((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol...) Show SMILES CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(O)=O)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H27ClN4O4/c1-5-12(24-15-7-6-11(20)8-13(15)23-18(24)21)9-16(25)22-14(17(26)27)10-28-19(2,3)4/h6-8,12,14H,5,9-10H2,1-4H3,(H2,21,23)(H,22,25)(H,26,27)/t12-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay				Bioorg Med Chem Lett 20: 5329-33 (2010) Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7
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