Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50398914'   

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))	BDBM50398914 (CHEMBL2178206) Show SMILES Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccccc1 |w:11.12| Show InChI InChI=1S/C23H20N4O2/c1-15-20(21(27-29-15)17-9-3-2-4-10-17)22(28)26-23(24)25-14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13H,14H2,1H3,(H3,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells				J Med Chem 55: 9208-23 (2012) Article DOI: 10.1021/jm300931y BindingDB Entry DOI: 10.7270/Q20G3M8M
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