BDBM50432327 CHEMBL2347864

SMILES: Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=N)c1

InChI Key: InChIKey=HSSQZTUBGOSCDN-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 = 50432327   

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))	BDBM50432327 (CHEMBL2347864) Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=N)c1 Show InChI InChI=1S/C27H25BrN4O2/c28-21-10-11-24(32-14-12-31(13-15-32)18-19-6-2-1-3-7-19)23(17-21)30-27(33)22-16-20-8-4-5-9-25(20)34-26(22)29/h1-11,16-17,29H,12-15,18H2,(H,30,33)	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	1.22E+3	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
					More data for this Ligand-Target Pair