BDBM50432326 CHEMBL2347865

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=N

InChI Key: InChIKey=OSXPQUNHURKVEQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50432326   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432326 (CHEMBL2347865) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=N Show InChI InChI=1S/C25H27BrN4O4/c1-25(2,3)34-24(32)30-12-10-29(11-13-30)20-9-8-17(26)15-19(20)28-23(31)18-14-16-6-4-5-7-21(16)33-22(18)27/h4-9,14-15,27H,10-13H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay				Bioorg Med Chem 21: 2396-412 (2013) Article DOI: 10.1016/j.bmc.2013.01.064 BindingDB Entry DOI: 10.7270/Q2BV7J12
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