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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50231687'   
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))
BDBM50231687
PNG
(3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(2-methylhep...)
Show SMILES CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O
Show InChI InChI=1S/C31H46N4O3/c1-5-7-11-16-31(3,4)33-22-28(36)27(18-23-13-9-8-10-14-23)34-30(38)24-19-25(32-6-2)21-26(20-24)35-17-12-15-29(35)37/h8-10,13-14,19-21,27-28,32-33,36H,5-7,11-12,15-18,22H2,1-4H3,(H,34,38)/t27-,28+/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 1.07E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1017-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.019
BindingDB Entry DOI: 10.7270/Q2J67GP2
More data for this
Ligand-Target Pair