Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50234643'   

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))	BDBM50234643 (CHEMBL399839 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...) Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H30N8O5/c42-29(32(44)34-24-14-7-13-23(18-24)30-37-39-40-38-30)27(17-21-9-3-1-4-10-21)36-31(43)25-15-8-16-26(35-25)33(45)41-20-46-19-28(41)22-11-5-2-6-12-22/h1-16,18,27-29,42H,17,19-20H2,(H,34,44)(H,36,43)(H,37,38,39,40)/t27-,28+,29-/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant Arg235 region of BACE1 by FRET assay				Bioorg Med Chem Lett 19: 2435-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.049 BindingDB Entry DOI: 10.7270/Q27D2V1G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50234643 (CHEMBL399839 | N-((2S,3S)-4-(3-(2H-tetrazol-5-yl)p...) Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H30N8O5/c42-29(32(44)34-24-14-7-13-23(18-24)30-37-39-40-38-30)27(17-21-9-3-1-4-10-21)36-31(43)25-15-8-16-26(35-25)33(45)41-20-46-19-28(41)22-11-5-2-6-12-22/h1-16,18,27-29,42H,17,19-20H2,(H,34,44)(H,36,43)(H,37,38,39,40)/t27-,28+,29-/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				Bioorg Med Chem Lett 18: 1643-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.056 BindingDB Entry DOI: 10.7270/Q2J38S96
					More data for this Ligand-Target Pair