null

SMILES: OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O

InChI Key: InChIKey=OIXRHSBEQHAKPC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16742   

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))	BDBM16742 (Coumarin Compound, 9e | N-{5-bromo-2-[4-(2-hydroxy...) Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C22H22BrN3O4/c23-16-5-6-19(26-9-7-25(8-10-26)11-12-27)18(14-16)24-21(28)17-13-15-3-1-2-4-20(15)30-22(17)29/h1-6,13-14,27H,7-12H2,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Applied Science University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 2 hrs by FRET assay				Bioorg Med Chem 18: 3088-115 (2010) Article DOI: 10.1016/j.bmc.2010.03.043 BindingDB Entry DOI: 10.7270/Q2ZG6SFR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16742 (Coumarin Compound, 9e | N-{5-bromo-2-[4-(2-hydroxy...) Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C22H22BrN3O4/c23-16-5-6-19(26-9-7-25(8-10-26)11-12-27)18(14-16)24-21(28)17-13-15-3-1-2-4-20(15)30-22(17)29/h1-6,13-14,27H,7-12H2,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair