Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50313895'   

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))	BDBM50313895 (3-(5-(2-amino-1-phenylpropan-2-yl)furan-2-yl)-N-((...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(o1)C(C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H32FN3O4S/c1-20(22-10-12-25(31)13-11-22)33-29(35)24-16-23(17-26(18-24)34(3)39(4,36)37)27-14-15-28(38-27)30(2,32)19-21-8-6-5-7-9-21/h5-18,20H,19,32H2,1-4H3,(H,33,35)/t20-,30?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in mouse fibroblast cells assessed as inhibition of secreted APPbeta-NF production at pH 7.2				Bioorg Med Chem Lett 20: 1885-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.137 BindingDB Entry DOI: 10.7270/Q21Z44JX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50313895 (3-(5-(2-amino-1-phenylpropan-2-yl)furan-2-yl)-N-((...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(o1)C(C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H32FN3O4S/c1-20(22-10-12-25(31)13-11-22)33-29(35)24-16-23(17-26(18-24)34(3)39(4,36)37)27-14-15-28(38-27)30(2,32)19-21-8-6-5-7-9-21/h5-18,20H,19,32H2,1-4H3,(H,33,35)/t20-,30?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	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 20: 1885-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.137 BindingDB Entry DOI: 10.7270/Q21Z44JX
					More data for this Ligand-Target Pair