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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50315008'   
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))
BDBM50315008
PNG
(3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1
Show InChI InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair