Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50398896'   

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))	BDBM50398896 (CHEMBL2178169) Show SMILES COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(c1)-c1ccsc1 |w:19.21| Show InChI InChI=1S/C24H21ClN4O3S/c1-14-21(22(29-32-14)16-3-5-20(31-2)6-4-16)23(30)28-24(26)27-12-15-9-18(11-19(25)10-15)17-7-8-33-13-17/h3-11,13H,12H2,1-2H3,(H3,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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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