Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50171337'   

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))	BDBM50171337 (5-[3-(3-Chloro-phenyl)-ureido]-2-dimethylamino-N-(...) Show SMILES CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C Show InChI InChI=1S/C21H27ClN4O3/c1-4-29-12-6-11-23-20(27)18-14-17(9-10-19(18)26(2)3)25-21(28)24-16-8-5-7-15(22)13-16/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,23,27)(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50171337 (5-[3-(3-Chloro-phenyl)-ureido]-2-dimethylamino-N-(...) Show SMILES CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C Show InChI InChI=1S/C21H27ClN4O3/c1-4-29-12-6-11-23-20(27)18-14-17(9-10-19(18)26(2)3)25-21(28)24-16-8-5-7-15(22)13-16/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,23,27)(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Inhibitory concentration against beta-site APP cleaving enzyme (BACE-1) by fluorescence resonance energy transfer assay				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair