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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50010847'   
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))
BDBM50010847
PNG
(CHEMBL3264807)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCC1 |r|
Show InChI InChI=1S/C37H50N4O4/c1-4-17-41(18-5-2)37(44)31-23-30(24-32(25-31)40-19-10-7-11-20-40)36(43)39-34(22-28-13-8-6-9-14-28)35(42)27-38-26-29-15-12-16-33(21-29)45-3/h6,8-9,12-16,21,23-25,34-35,38,42H,4-5,7,10-11,17-20,22,26-27H2,1-3H3,(H,39,43)/t34-,35+/m0/s1
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay


ACS Med Chem Lett 5: 373-7 (2014)


Article DOI: 10.1021/ml4004952
BindingDB Entry DOI: 10.7270/Q26W9CMG
More data for this
Ligand-Target Pair