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BDBM50396584 CHEMBL2171402

SMILES: COc1cn(nc1C(=O)N[C@@H](CC(O)=O)c1ccccc1C)-c1ccccc1

InChI Key: InChIKey=AFWPMJBLCXDAFL-KRWDZBQOSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396584   
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))
BDBM50396584
PNG
(CHEMBL2171402)
Show SMILES COc1cn(nc1C(=O)N[C@@H](CC(O)=O)c1ccccc1C)-c1ccccc1
Show InChI InChI=1S/C21H21N3O4/c1-14-8-6-7-11-16(14)17(12-19(25)26)22-21(27)20-18(28-2)13-24(23-20)15-9-4-3-5-10-15/h3-11,13,17H,12H2,1-2H3,(H,22,27)(H,25,26)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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