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BDBM50189981 2-[1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy]ethanoic acid::CHEMBL212787

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

InChI Key: InChIKey=GKSMDAOMTBHTCV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50189981   
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))
BDBM50189981
PNG
(2-[1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy]e...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OCC(O)=O)ccc2ccccc12
Show InChI InChI=1S/C22H20O7/c1-26-17-10-14(11-18(27-2)22(17)28-3)21(25)20-15-7-5-4-6-13(15)8-9-16(20)29-12-19(23)24/h4-11H,12H2,1-3H3,(H,23,24)
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 60n/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