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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50392774'   
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))
BDBM50392774
PNG
(CHEMBL2151149)
Show SMILES CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1
Show InChI InChI=1S/C26H34N2O3/c1-3-19-10-11-25-21(14-19)23(16-26(31-25)12-7-13-26)27-17-24(30)22(28-18(2)29)15-20-8-5-4-6-9-20/h4-6,8-11,14,22-24,27,30H,3,7,12-13,15-17H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin) by FRET assay


Bioorg Med Chem Lett 23: 4459-64 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.028
BindingDB Entry DOI: 10.7270/Q2FQ9Z1B
More data for this
Ligand-Target Pair