null

SMILES: COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1

InChI Key: InChIKey=PBSYABIBXNOMBJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50258849   

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))	BDBM50258849 (4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1 Show InChI InChI=1S/C19H19N3O4S/c1-25-15-6-3-12(4-7-15)16(17-11-27-19(20)21-17)10-13-9-14(22(23)24)5-8-18(13)26-2/h3-9,11,16H,10H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.20E+7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) by sAPP_NF cell based assay				Bioorg Med Chem Lett 19: 2977-80 (2009) Article DOI: 10.1016/j.bmcl.2009.04.033 BindingDB Entry DOI: 10.7270/Q2XS5V96
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50258849 (4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1 Show InChI InChI=1S/C19H19N3O4S/c1-25-15-6-3-12(4-7-15)16(17-11-27-19(20)21-17)10-13-9-14(22(23)24)5-8-18(13)26-2/h3-9,11,16H,10H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	4.5	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) at pH 4.5				Bioorg Med Chem Lett 19: 2977-80 (2009) Article DOI: 10.1016/j.bmcl.2009.04.033 BindingDB Entry DOI: 10.7270/Q2XS5V96
					More data for this Ligand-Target Pair