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BDBM50396583 CHEMBL2171404

SMILES: OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1

InChI Key: InChIKey=HPTZVPGJYCYQTK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396583   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396583
PNG
(CHEMBL2171404)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19F2N3O4/c26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(14-24(32)33)28-25(34)21-13-23(31)30(29-21)22-4-2-1-3-19(22)27/h1-13,20,29H,14H2,(H,28,34)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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