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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50189984'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin D


(Homo sapiens (Human))
BDBM50189984
PNG
(CHEMBL378015 | N-phenyl-2-(1-(3,4,5-trimethoxybenz...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OCC(=O)Nc2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C28H25NO6/c1-32-23-15-19(16-24(33-2)28(23)34-3)27(31)26-21-12-8-7-9-18(21)13-14-22(26)35-17-25(30)29-20-10-5-4-6-11-20/h4-16H,17H2,1-3H3,(H,29,30)
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 2.32E+5n/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