BDBM50189979 CHEMBL378329::N-phenyl-4-(1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy)but-2-enamide

SMILES: COc1cc(cc(OC)c1OC)C(=O)c1c(OC\C=C\C(=O)Nc2ccccc2)ccc2ccccc12

InChI Key: InChIKey=SQSKWZJOXDQNFD-NTEUORMPSA-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 = 50189979   

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))	BDBM50189979 (CHEMBL378329 | N-phenyl-4-(1-(3,4,5-trimethoxybenz...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OC\C=C\C(=O)Nc2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C30H27NO6/c1-34-25-18-21(19-26(35-2)30(25)36-3)29(33)28-23-13-8-7-10-20(23)15-16-24(28)37-17-9-14-27(32)31-22-11-5-4-6-12-22/h4-16,18-19H,17H2,1-3H3,(H,31,32)/b14-9+	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