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BDBM156743 US9029559, 165

SMILES: Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1cc(F)ccc1C

InChI Key: InChIKey=ZRFAGKLSWKFUOZ-NRFANRHFSA-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 = 156743   
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))
BDBM156743
PNG
(US9029559, 165)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1cc(F)ccc1C
Show InChI InChI=1S/C23H21FN2O3/c1-14-6-3-4-7-17(14)21(13-22(27)28)26-23(29)20-9-5-8-19(25-20)18-12-16(24)11-10-15(18)2/h3-12,21H,13H2,1-2H3,(H,26,29)(H,27,28)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 94.4n/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