new BindingDB logo
myBDB logout

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)
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))
BDBM50189979
PNG
(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

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