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BDBM157078 US9029559, 539

SMILES: COc1cccnc1C(=O)NC(CC(O)=O)c1ccccc1Cl

InChI Key: InChIKey=FVXWJFYVEJMSOA-UHFFFAOYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 157078   
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))
BDBM157078
PNG
(US9029559, 539)
Show SMILES COc1cccnc1C(=O)NC(CC(O)=O)c1ccccc1Cl
Show InChI InChI=1/C16H15ClN2O4/c1-23-13-7-4-8-18-15(13)16(22)19-12(9-14(20)21)10-5-2-3-6-11(10)17/h2-8,12H,9H2,1H3,(H,19,22)(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/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