Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50129290'   

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))	BDBM50129290 (CHEMBL3627973) Show SMILES CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	78	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))	BDBM50129290 (CHEMBL3627973) Show SMILES CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r| Show InChI InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	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