Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50129372'   

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))	BDBM50129372 (CHEMBL3627957) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2cccn2-c2ccccc2)cc1Cl Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,26,29)(H3,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129372 (CHEMBL3627957) Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2cccn2-c2ccccc2)cc1Cl Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(29)26-19-16(22)10-14(11-17(19)23)12-25-21(24)27-20(30)18-8-5-9-28(18)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,26,29)(H3,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
					More data for this Ligand-Target Pair