BDBM50432310 CHEMBL2347880

SMILES: COc1ccccc1C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1

InChI Key: InChIKey=OVQUWBSFDGLXPR-NECWGFRUSA-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 = 50432310   

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))	BDBM50432310 (CHEMBL2347880) Show SMILES COc1ccccc1C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1 Show InChI InChI=1S/C34H29BrN4O4/c1-42-31-14-8-6-12-26(31)34(41)39-19-17-38(18-20-39)29-16-15-24(35)22-28(29)37-32(40)27-21-23-9-5-7-13-30(23)43-33(27)36-25-10-3-2-4-11-25/h2-16,21-22H,17-20H2,1H3,(H,37,40)/b36-33-	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	2.57E+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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