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BDBM50189976 CHEMBL212492::N-(4-methoxyphenyl)-4-(1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy)but-2-enamide

SMILES: COc1ccc(NC(=O)\C=C\COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1

InChI Key: InChIKey=YIMWDXKQDZTJRU-JXMROGBWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50189976   
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))
BDBM50189976
PNG
(CHEMBL212492 | N-(4-methoxyphenyl)-4-(1-(3,4,5-tri...)
Show SMILES COc1ccc(NC(=O)\C=C\COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C31H29NO7/c1-35-23-14-12-22(13-15-23)32-28(33)10-7-17-39-25-16-11-20-8-5-6-9-24(20)29(25)30(34)21-18-26(36-2)31(38-4)27(19-21)37-3/h5-16,18-19H,17H2,1-4H3,(H,32,33)/b10-7+
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 4.71E+3n/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