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BDBM50189985 4-[1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy]-but-2-enoic acid-3,4,5-trimethoxyphenylamide::CHEMBL213744

SMILES: COc1cc(NC(=O)\C=C\COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

InChI Key: InChIKey=DHXYWPMNLSEIMY-FMIVXFBMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50189985   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin D


(Homo sapiens (Human))
BDBM50189985
PNG
(4-[1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy]-...)
Show SMILES COc1cc(NC(=O)\C=C\COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C33H33NO9/c1-37-25-16-21(17-26(38-2)32(25)41-5)31(36)30-23-11-8-7-10-20(23)13-14-24(30)43-15-9-12-29(35)34-22-18-27(39-3)33(42-6)28(19-22)40-4/h7-14,16-19H,15H2,1-6H3,(H,34,35)/b12-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/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