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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50189983'   
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))
BDBM50189983
PNG
(CHEMBL214974 | N-butyl-4-(1-(3,4,5-trimethoxybenzo...)
Show SMILES CCCCNC(=O)\C=C\COc1ccc2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H31NO6/c1-5-6-15-29-25(30)12-9-16-35-22-14-13-19-10-7-8-11-21(19)26(22)27(31)20-17-23(32-2)28(34-4)24(18-20)33-3/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,29,30)/b12-9+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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