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BDBM156884 US9029559, 322

SMILES: COc1ccc(nc1-c1ccoc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F

InChI Key: InChIKey=XHCUNJMCBCIQFI-KRWDZBQOSA-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 = 156884   
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))
BDBM156884
PNG
(US9029559, 322)
Show SMILES COc1ccc(nc1-c1ccoc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
Show InChI InChI=1S/C21H19FN2O5/c1-12-13(9-10-29-12)20-18(28-2)8-7-16(23-20)21(27)24-17(11-19(25)26)14-5-3-4-6-15(14)22/h3-10,17H,11H2,1-2H3,(H,24,27)(H,25,26)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 81.3n/an/an/an/an/an/a



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