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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin A (CTSA)' and Ligand = 'BDBM50396559'   
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 A (CTSA)


(Homo sapiens (Human))
BDBM50396559
PNG
(CHEMBL2171395)
Show SMILES CC(C)(C)[C@H](O)COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2FN3O5/c1-25(2,3)21(32)13-36-22-11-19(30-31(22)20-7-5-4-6-17(20)28)24(35)29-18(12-23(33)34)15-9-8-14(26)10-16(15)27/h4-11,18,21,32H,12-13H2,1-3H3,(H,29,35)(H,33,34)/t18-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair