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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50071554'   
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))
BDBM50071554
PNG
(3-Hydroxy-4-[(2S,3S)-3-methyl-2-(2-naphthalen-2-yl...)
Show SMILES CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC
Show InChI InChI=1S/C33H43N3O4/c1-4-6-18-34-30(38)22-29(37)28(20-24-12-8-7-9-13-24)35-33(40)32(23(3)5-2)36-31(39)21-25-16-17-26-14-10-11-15-27(26)19-25/h7-17,19,23,28-29,32,37H,4-6,18,20-22H2,1-3H3,(H,34,38)(H,35,40)(H,36,39)/t23-,28?,29?,32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
50n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin D


Bioorg Med Chem Lett 8: 2315-20 (1999)


BindingDB Entry DOI: 10.7270/Q2SN09G9
More data for this
Ligand-Target Pair