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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 = 'BDBM157022'   
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))
BDBM157022
PNG
(US9029559, 472)
Show SMILES COc1ccc(nc1-c1ccoc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H22N2O5/c1-13-6-4-5-7-15(13)18(12-20(25)26)24-22(27)17-8-9-19(28-3)21(23-17)16-10-11-29-14(16)2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 96n/an/an/an/a5.525



SANOFI

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair