Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50212194'   

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))	BDBM50212194 (CHEMBL250295 | N-((5R,14R)-5-amino-5-methyl-4,16-d...) Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)N(c1ccccc1)S(C)(=O)=O)c1ccccc1)c2 Show InChI InChI=1S/C34H35N3O5S/c1-34(35)22-25-11-9-10-24(18-25)16-17-31(27-12-5-3-6-13-27)36-32(38)28-19-26(23-42-33(34)39)20-30(21-28)37(43(2,40)41)29-14-7-4-8-15-29/h3-15,18-21,31H,16-17,22-23,35H2,1-2H3,(H,36,38)/t31-,34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
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