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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 560.5
BDBM275652

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM275652
PNG
(US9884814, Compound 263)
Show SMILES Fc1cc(F)c(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(c2)C(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C26H27F7N4O2/c27-16-10-20(29)17(21(30)11-16)12-23(38)37-25(34)36-22(9-14-4-2-1-3-5-14)24(39)35-13-15-6-7-19(28)18(8-15)26(31,32)33/h6-8,10-11,14,22H,1-5,9,12-13H2,(H,35,39)(H3,34,36,37,38)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9884814 (2018)


BindingDB Entry DOI: 10.7270/Q25Q4Z3V
More data for this
Ligand-Target Pair