BDBM50189978 CHEMBL377142::N-(4-methoxyphenyl)-2-(1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy)acetamide

SMILES: COc1ccc(NC(=O)COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1

InChI Key: InChIKey=ROQUEQYEUURDCX-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 = 50189978   

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
Cathepsin D (Homo sapiens (Human))	BDBM50189978 (CHEMBL377142 | N-(4-methoxyphenyl)-2-(1-(3,4,5-tri...) Show SMILES COc1ccc(NC(=O)COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C29H27NO7/c1-33-21-12-10-20(11-13-21)30-26(31)17-37-23-14-9-18-7-5-6-8-22(18)27(23)28(32)19-15-24(34-2)29(36-4)25(16-19)35-3/h5-16H,17H2,1-4H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal and Aromatic Plants Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem Lett 16: 4603-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.010 BindingDB Entry DOI: 10.7270/Q2FB53QN
					More data for this Ligand-Target Pair