new BindingDB logo
myBDB logout

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)
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))
BDBM50189977
PNG
(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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/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