BDBM50189977 4-(1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy)but-2-enoic acid::CHEMBL213136

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

InChI Key: InChIKey=FVWREIUFRQGLFU-RMKNXTFCSA-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 = 50189977   

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))	BDBM50189977 (4-(1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy)b...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OC\C=C\C(O)=O)ccc2ccccc12 Show InChI InChI=1S/C24H22O7/c1-28-19-13-16(14-20(29-2)24(19)30-3)23(27)22-17-8-5-4-7-15(17)10-11-18(22)31-12-6-9-21(25)26/h4-11,13-14H,12H2,1-3H3,(H,25,26)/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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